# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_8030
_database_code_depnum_ccdc_archive 'CCDC 2182065'
loop_
_audit_author_name
_audit_author_address
'chenyang jiang'
;Beijing University of Chemical Technology
China
;
_audit_update_record             
;
2022-06-28 deposited with the CCDC.	2022-09-15 downloaded from the CCDC.
;
_audit_creation_date             2022-06-22
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         
'C48 H39 N6 O4 P, 1.27979(C H Cl3), 0.72021(C3 H6 O)'
_chemical_formula_sum            'C51.44 H44.60 Cl3.84 N6 O4.72 P'
_chemical_formula_weight         989.42
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.7423(4)
_cell_length_b                   15.4301(6)
_cell_length_c                   25.1881(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.673(3)
_cell_angle_gamma                90.00
_cell_volume                     4882.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5418
_cell_measurement_temperature    112.6(5)
_cell_measurement_theta_max      27.0490
_cell_measurement_theta_min      3.8750
_exptl_absorpt_coefficient_mu    0.320
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89341
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2053
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_unetI/netI     0.0633
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            25542
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.10
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      112.6(5)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0971
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.9969
_diffrn_measured_fraction_theta_max 0.8256
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -53.00   55.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       16.2414    0.0000    0.0000 108

#__ type_ start__ end____ width___ exp.time_
  2 omega   34.00   83.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       16.2414   77.0000  -30.0000 49

#__ type_ start__ end____ width___ exp.time_
  3 omega    1.00   28.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       16.2414   77.0000  -30.0000 27

#__ type_ start__ end____ width___ exp.time_
  4 omega  -54.00  -25.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.0070  106.0000  -22.0000 29

#__ type_ start__ end____ width___ exp.time_
  5 omega  -17.00   12.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.0070  -99.0000 -150.0000 29

#__ type_ start__ end____ width___ exp.time_
  6 omega  -24.00    5.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.0070  -99.0000   90.0000 29
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0280597000
_diffrn_orient_matrix_UB_12      -0.0385867000
_diffrn_orient_matrix_UB_13      0.0085592000
_diffrn_orient_matrix_UB_21      -0.0138524000
_diffrn_orient_matrix_UB_22      -0.0173736000
_diffrn_orient_matrix_UB_23      -0.0263265000
_diffrn_orient_matrix_UB_31      0.0469740000
_diffrn_orient_matrix_UB_32      0.0179511000
_diffrn_orient_matrix_UB_33      -0.0071038000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                6885
_reflns_number_total             9364
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.07
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_refine_diff_density_max         0.642
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         9364
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0598
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0486P)²+4.3311P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1258
_refine_ls_wR_factor_ref         0.1404
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.24558(5) 0.12304(5) 0.01585(3) 0.01941(17) Uani 1 1 d . . .
O4 O 0.75654(14) -0.00434(13) -0.15988(7) 0.0253(4) Uani 1 1 d . . .
H4 H 0.7420 -0.0050 -0.1286 0.038 Uiso 1 1 calc R . .
O3 O 0.35567(18) 0.62131(14) 0.02341(8) 0.0373(5) Uani 1 1 d . . .
H3 H 0.3312 0.5748 0.0336 0.056 Uiso 1 1 calc R . .
O1 O 0.22772(14) 0.06063(13) 0.05833(7) 0.0256(4) Uani 1 1 d . . .
N10 N 0.30099(18) 0.46219(16) 0.01144(9) 0.0267(5) Uani 1 1 d . . .
N11 N 0.61546(16) 0.10307(15) -0.11743(8) 0.0218(5) Uani 1 1 d . . .
C12 C 0.38091(19) 0.11955(18) 0.00296(10) 0.0193(6) Uani 1 1 d . . .
N14 N 0.53688(17) 0.14569(16) -0.10664(9) 0.0239(5) Uani 1 1 d . . .
N15 N 0.12620(17) 0.24396(17) -0.18928(9) 0.0265(6) Uani 1 1 d . . .
N16 N 0.04748(17) 0.19941(16) -0.18054(9) 0.0254(5) Uani 1 1 d . . .
C17 C 0.5146(2) 0.12661(18) -0.05407(10) 0.0209(6) Uani 1 1 d . . .
C18 C 0.15770(19) 0.10233(18) -0.04697(10) 0.0208(6) Uani 1 1 d . . .
O2 O -0.08899(14) 0.28966(16) -0.24537(9) 0.0401(6) Uani 1 1 d . . .
H2 H -0.0721 0.2505 -0.2224 0.060 Uiso 1 1 calc R . .
C20 C 0.14261(19) 0.16060(19) -0.08973(10) 0.0212(6) Uani 1 1 d . . .
H20 H 0.1815 0.2134 -0.0874 0.025 Uiso 1 1 calc R . .
C21 C 0.64767(19) 0.12645(19) -0.16666(10) 0.0218(6) Uani 1 1 d . . .
C22 C 0.1028(2) 0.3040(2) -0.23220(10) 0.0248(6) Uani 1 1 d . . .
C23 C 0.1914(2) 0.3444(2) -0.24811(11) 0.0272(7) Uani 1 1 d . . .
H23 H 0.2609 0.3295 -0.2304 0.033 Uiso 1 1 calc R . .
C24 C 0.5552(2) 0.3731(2) -0.25118(11) 0.0253(6) Uani 1 1 d . . .
C25 C 0.71993(19) 0.07018(19) -0.18488(10) 0.0218(6) Uani 1 1 d . . .
C26 C 0.5826(2) 0.4328(2) -0.20943(11) 0.0254(6) Uani 1 1 d . . .
C27 C 0.22252(19) 0.23342(18) 0.03406(10) 0.0206(6) Uani 1 1 d . . .
C28 C 0.3804(2) 0.4393(2) -0.27347(11) 0.0268(7) Uani 1 1 d . . .
C29 C 0.0997(2) 0.0252(2) -0.05075(11) 0.0264(6) Uani 1 1 d . . .
H29 H 0.1104 -0.0151 -0.0218 0.032 Uiso 1 1 calc R . .
C30 C 0.1830(2) 0.4015(2) 0.06623(12) 0.0309(7) Uani 1 1 d . . .
H30 H 0.1698 0.4587 0.0773 0.037 Uiso 1 1 calc R . .
C31 C 0.4593(2) 0.09679(18) 0.04614(10) 0.0205(6) Uani 1 1 d . . .
H31 H 0.4408 0.0864 0.0806 0.025 Uiso 1 1 calc R . .
C32 C 0.3976(2) 0.52432(19) -0.04559(11) 0.0248(6) Uani 1 1 d . . .
C33 C 0.2514(2) 0.38750(19) 0.02931(11) 0.0240(6) Uani 1 1 d . . .
C34 C 0.1799(2) 0.4052(2) -0.28884(10) 0.0259(6) Uani 1 1 d . . .
C35 C 0.5927(2) 0.10282(18) -0.01118(10) 0.0219(6) Uani 1 1 d . . .
H35 H 0.6645 0.0959 -0.0162 0.026 Uiso 1 1 calc R . .
C36 C 0.72598(19) 0.1671(2) -0.25924(10) 0.0245(6) Uani 1 1 d . . .
H36 H 0.7516 0.1799 -0.2917 0.029 Uiso 1 1 calc R . .
C37 C 0.75697(19) 0.0907(2) -0.23257(10) 0.0236(6) Uani 1 1 d . . .
H37 H 0.8035 0.0521 -0.2466 0.028 Uiso 1 1 calc R . .
C38 C 0.4522(2) 0.3736(2) -0.28153(10) 0.0255(6) Uani 1 1 d . . .
C39 C 0.4093(2) 0.13654(18) -0.04707(10) 0.0209(6) Uani 1 1 d . . .
H39 H 0.3569 0.1549 -0.0763 0.025 Uiso 1 1 calc R . .
C40 C 0.0759(2) 0.4286(2) -0.31260(11) 0.0282(7) Uani 1 1 d . . .
H40 H 0.0661 0.4721 -0.3397 0.034 Uiso 1 1 calc R . .
N41 N 0.34898(18) 0.44960(16) -0.02818(9) 0.0258(5) Uani 1 1 d . . .
C42 C -0.0002(2) 0.3261(2) -0.25792(11) 0.0283(7) Uani 1 1 d . . .
C43 C 0.6182(2) 0.2041(2) -0.19410(11) 0.0252(6) Uani 1 1 d . . .
H43 H 0.5700 0.2422 -0.1809 0.030 Uiso 1 1 calc R . .
C44 C 0.2714(2) 0.30355(19) 0.01321(10) 0.0222(6) Uani 1 1 d . . .
H44 H 0.3181 0.2941 -0.0119 0.027 Uiso 1 1 calc R . .
C45 C 0.4914(2) 0.6629(2) -0.08917(12) 0.0313(7) Uani 1 1 d . . .
H45 H 0.5223 0.7111 -0.1043 0.038 Uiso 1 1 calc R . .
C46 C 0.6580(2) 0.22615(19) -0.23997(10) 0.0241(6) Uani 1 1 d . . .
C47 C 0.0703(2) 0.14100(19) -0.13591(11) 0.0235(6) Uani 1 1 d . . .
C48 C 0.0264(2) 0.0072(2) -0.09671(12) 0.0307(7) Uani 1 1 d . . .
H48 H -0.0133 -0.0452 -0.0991 0.037 Uiso 1 1 calc R . .
C49 C 0.1537(2) 0.2480(2) 0.07124(12) 0.0294(7) Uani 1 1 d . . .
H49 H 0.1205 0.2005 0.0857 0.035 Uiso 1 1 calc R . .
C50 C 0.4461(2) 0.5131(2) -0.09128(11) 0.0270(6) Uani 1 1 d . . .
H50 H 0.4469 0.4572 -0.1070 0.032 Uiso 1 1 calc R . .
C51 C 0.3995(2) 0.60634(19) -0.02100(11) 0.0283(7) Uani 1 1 d . . .
C52 C 0.6391(2) 0.3132(2) -0.26751(12) 0.0309(7) Uani 1 1 d . . .
H52A H 0.6199 0.3025 -0.3067 0.037 Uiso 1 1 calc R . .
H52B H 0.7077 0.3449 -0.2617 0.037 Uiso 1 1 calc R . .
C53 C 0.5649(2) 0.08927(18) 0.03885(10) 0.0227(6) Uani 1 1 d . . .
H53 H 0.6183 0.0747 0.0686 0.027 Uiso 1 1 calc R . .
C54 C 0.2733(2) 0.4456(2) -0.31044(11) 0.0330(7) Uani 1 1 d . . .
H54A H 0.2794 0.4173 -0.3451 0.040 Uiso 1 1 calc R . .
H54B H 0.2571 0.5076 -0.3181 0.040 Uiso 1 1 calc R . .
C55 C 0.4096(2) 0.5026(2) -0.23407(11) 0.0280(7) Uani 1 1 d . . .
C56 C 0.1345(2) 0.3316(2) 0.08671(12) 0.0350(8) Uani 1 1 d . . .
H56 H 0.0874 0.3412 0.1117 0.042 Uiso 1 1 calc R . .
C57 C 0.4928(2) 0.5817(2) -0.11381(11) 0.0289(7) Uani 1 1 d . . .
C58 C 0.0112(2) 0.0655(2) -0.13905(11) 0.0269(7) Uani 1 1 d . . .
H58 H -0.0397 0.0536 -0.1703 0.032 Uiso 1 1 calc R . .
C59 C 0.4466(2) 0.6751(2) -0.04373(12) 0.0332(7) Uani 1 1 d . . .
H59 H 0.4479 0.7310 -0.0278 0.040 Uiso 1 1 calc R . .
C60 C 0.6889(2) 0.4245(2) -0.17183(12) 0.0350(8) Uani 1 1 d . . .
H60A H 0.7202 0.3677 -0.1769 0.052 Uiso 1 1 calc R . .
H60B H 0.6777 0.4303 -0.1344 0.052 Uiso 1 1 calc R . .
H60C H 0.7371 0.4702 -0.1800 0.052 Uiso 1 1 calc R . .
C61 C 0.5467(3) 0.5728(2) -0.16307(12) 0.0365(8) Uani 1 1 d . . .
H61A H 0.5361 0.6278 -0.1835 0.044 Uiso 1 1 calc R . .
H61B H 0.6242 0.5665 -0.1503 0.044 Uiso 1 1 calc R . .
C62 C 0.3323(3) 0.5737(2) -0.22619(14) 0.0415(8) Uani 1 1 d . . .
H62A H 0.3158 0.6080 -0.2593 0.062 Uiso 1 1 calc R . .
H62B H 0.3643 0.6112 -0.1964 0.062 Uiso 1 1 calc R . .
H62C H 0.2668 0.5480 -0.2178 0.062 Uiso 1 1 calc R . .
C63 C -0.0122(2) 0.3900(2) -0.29767(11) 0.0312(7) Uani 1 1 d . . .
H63 H -0.0815 0.4070 -0.3145 0.037 Uiso 1 1 calc R . .
C64 C 0.4196(3) 0.3023(2) -0.32230(12) 0.0391(8) Uani 1 1 d . . .
H64A H 0.4356 0.3201 -0.3574 0.059 Uiso 1 1 calc R . .
H64B H 0.3431 0.2914 -0.3253 0.059 Uiso 1 1 calc R . .
H64C H 0.4590 0.2492 -0.3105 0.059 Uiso 1 1 calc R . .
C65 C 0.5117(2) 0.4994(2) -0.20183(11) 0.0264(6) Uani 1 1 d . . .
Cl2 Cl 0.86972(10) 0.16372(11) -0.06006(6) 0.0465(5) Uani 0.639(3) 1 d P A 1
Cl3 Cl 0.83364(13) 0.23004(13) 0.04094(6) 0.0543(5) Uani 0.639(3) 1 d P A 1
Cl5 Cl 0.89760(14) 0.34701(14) -0.03749(10) 0.0736(7) Uani 0.639(3) 1 d P A 1
C69 C 0.8253(4) 0.2546(4) -0.0278(2) 0.0314(12) Uani 0.639(3) 1 d P A 1
H69 H 0.7489 0.2651 -0.0434 0.038 Uiso 0.639(3) 1 calc PR A 1
Cl4 Cl 0.15354(11) 0.58648(11) -0.11339(7) 0.0623(6) Uani 0.641(3) 1 d P B 1
Cl8 Cl -0.02134(17) 0.53418(13) -0.19233(7) 0.0744(7) Uani 0.641(3) 1 d P B 1
Cl13 Cl 0.06737(19) 0.41647(13) -0.10892(7) 0.0806(7) Uani 0.641(3) 1 d P B 1
C66 C 0.0928(5) 0.5006(4) -0.1517(2) 0.0435(14) Uani 0.641(3) 1 d P B 1
H66 H 0.1431 0.4786 -0.1751 0.052 Uiso 0.641(3) 1 calc PR B 1
O0AA O -0.0497(7) 0.4695(8) -0.1355(4) 0.096(3) Uani 0.359(3) 1 d PD B 2
C101 C 0.0468(12) 0.5491(12) -0.1927(6) 0.096(3) Uani 0.359(3) 1 d PD B 2
H10A H 0.0868 0.5163 -0.2159 0.145 Uiso 0.359(3) 1 calc PR B 2
H10B H 0.0863 0.6017 -0.1800 0.145 Uiso 0.359(3) 1 calc PR B 2
H10C H -0.0229 0.5651 -0.2130 0.145 Uiso 0.359(3) 1 calc PR B 2
O1AA O 0.8960(13) 0.1980(9) 0.0262(6) 0.141(4) Uani 0.361(3) 1 d PD A 2
C103 C 0.1343(10) 0.4644(12) -0.1113(6) 0.096(3) Uani 0.359(3) 1 d PD B 2
H10D H 0.1200 0.4333 -0.0793 0.145 Uiso 0.359(3) 1 calc PR B 2
H10E H 0.1788 0.5151 -0.1002 0.145 Uiso 0.359(3) 1 calc PR B 2
H10F H 0.1714 0.4258 -0.1329 0.145 Uiso 0.359(3) 1 calc PR B 2
C102 C 0.0316(11) 0.4930(11) -0.1441(5) 0.096(3) Uani 0.359(3) 1 d PD B 2
C104 C 0.8462(17) 0.2167(15) -0.0710(7) 0.141(4) Uani 0.361(3) 1 d PD A 2
H10G H 0.9067 0.1974 -0.0874 0.211 Uiso 0.361(3) 1 calc PR A 2
H10H H 0.8132 0.2674 -0.0906 0.211 Uiso 0.361(3) 1 calc PR A 2
H10I H 0.7939 0.1698 -0.0728 0.211 Uiso 0.361(3) 1 calc PR A 2
C105 C 0.8844(18) 0.2406(12) -0.0133(7) 0.141(4) Uani 0.361(3) 1 d PD A 2
C106 C 0.922(2) 0.3328(14) -0.0205(10) 0.141(4) Uani 0.361(3) 1 d PD A 2
H10J H 0.9073 0.3690 0.0093 0.211 Uiso 0.361(3) 1 calc PR A 2
H10K H 0.8850 0.3563 -0.0547 0.211 Uiso 0.361(3) 1 calc PR A 2
H10L H 0.9992 0.3325 -0.0208 0.211 Uiso 0.361(3) 1 calc PR A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 O1 1.4851(19) . ?
P1 C12 1.808(2) . ?
P1 C18 1.807(3) . ?
P1 C27 1.801(3) . ?
O4 H4 0.8400 . ?
O4 C25 1.356(3) . ?
O3 H3 0.8400 . ?
O3 C51 1.352(3) . ?
N10 C33 1.423(3) . ?
N10 N41 1.270(3) . ?
N11 N14 1.265(3) . ?
N11 C21 1.417(3) . ?
C12 C31 1.392(3) . ?
C12 C39 1.393(3) . ?
N14 C17 1.431(3) . ?
N15 N16 1.266(3) . ?
N15 C22 1.417(3) . ?
N16 C47 1.432(3) . ?
C17 C35 1.390(4) . ?
C17 C39 1.391(3) . ?
C18 C20 1.391(4) . ?
C18 C29 1.396(4) . ?
O2 H2 0.8400 . ?
O2 C42 1.348(3) . ?
C20 H20 0.9500 . ?
C20 C47 1.391(4) . ?
C21 C25 1.398(4) . ?
C21 C43 1.402(4) . ?
C22 C23 1.406(4) . ?
C22 C42 1.404(4) . ?
C23 H23 0.9500 . ?
C23 C34 1.380(4) . ?
C24 C26 1.397(4) . ?
C24 C38 1.403(4) . ?
C24 C52 1.522(4) . ?
C25 C37 1.399(4) . ?
C26 C60 1.522(4) . ?
C26 C65 1.403(4) . ?
C27 C44 1.394(4) . ?
C27 C49 1.405(3) . ?
C28 C38 1.404(4) . ?
C28 C54 1.521(4) . ?
C28 C55 1.398(4) . ?
C29 H29 0.9500 . ?
C29 C48 1.388(4) . ?
C30 H30 0.9500 . ?
C30 C33 1.393(4) . ?
C30 C56 1.385(4) . ?
C31 H31 0.9500 . ?
C31 C53 1.394(3) . ?
C32 N41 1.413(4) . ?
C32 C50 1.406(4) . ?
C32 C51 1.408(4) . ?
C33 C44 1.394(4) . ?
C34 C40 1.407(4) . ?
C34 C54 1.522(4) . ?
C35 H35 0.9500 . ?
C35 C53 1.381(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.381(4) . ?
C36 C46 1.399(4) . ?
C37 H37 0.9500 . ?
C38 C64 1.514(4) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C40 C63 1.377(4) . ?
C42 C63 1.396(4) . ?
C43 H43 0.9500 . ?
C43 C46 1.380(4) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C45 C57 1.399(4) . ?
C45 C59 1.375(4) . ?
C46 C52 1.512(4) . ?
C47 C58 1.382(4) . ?
C48 H48 0.9500 . ?
C48 C58 1.383(4) . ?
C49 H49 0.9500 . ?
C49 C56 1.380(4) . ?
C50 H50 0.9500 . ?
C50 C57 1.382(4) . ?
C51 C59 1.389(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 H53 0.9500 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C62 1.509(4) . ?
C55 C65 1.414(4) . ?
C56 H56 0.9500 . ?
C57 C61 1.522(4) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C65 1.512(4) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63 0.9500 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
Cl2 C69 1.761(5) . ?
Cl3 C69 1.759(5) . ?
Cl5 C69 1.737(5) . ?
C69 H69 1.0000 . ?
Cl4 C66 1.743(6) . ?
Cl8 C66 1.712(6) . ?
Cl13 C66 1.751(6) . ?
C66 H66 1.0000 . ?
O0AA C102 1.151(14) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C101 C102 1.538(14) . ?
O1AA C105 1.180(16) . ?
C103 H10D 0.9800 . ?
C103 H10E 0.9800 . ?
C103 H10F 0.9800 . ?
C103 C102 1.492(14) . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C104 C105 1.500(16) . ?
C105 C106 1.523(17) . ?
C106 H10J 0.9800 . ?
C106 H10K 0.9800 . ?
C106 H10L 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 P1 C12 112.10(12) . . ?
O1 P1 C18 111.64(12) . . ?
O1 P1 C27 112.24(11) . . ?
C18 P1 C12 107.88(11) . . ?
C27 P1 C12 105.97(12) . . ?
C27 P1 C18 106.66(12) . . ?
C25 O4 H4 109.5 . . ?
C51 O3 H3 109.5 . . ?
N41 N10 C33 115.0(2) . . ?
N14 N11 C21 114.3(2) . . ?
C31 C12 P1 116.61(18) . . ?
C31 C12 C39 119.5(2) . . ?
C39 C12 P1 123.9(2) . . ?
N11 N14 C17 112.3(2) . . ?
N16 N15 C22 114.6(2) . . ?
N15 N16 C47 114.6(2) . . ?
C35 C17 N14 123.1(2) . . ?
C35 C17 C39 120.7(2) . . ?
C39 C17 N14 116.1(2) . . ?
C20 C18 P1 123.3(2) . . ?
C20 C18 C29 119.7(2) . . ?
C29 C18 P1 117.0(2) . . ?
C42 O2 H2 109.5 . . ?
C18 C20 H20 120.2 . . ?
C47 C20 C18 119.5(3) . . ?
C47 C20 H20 120.2 . . ?
C25 C21 N11 115.6(2) . . ?
C25 C21 C43 120.3(2) . . ?
C43 C21 N11 123.8(2) . . ?
C23 C22 N15 115.5(2) . . ?
C42 C22 N15 124.8(2) . . ?
C42 C22 C23 119.6(3) . . ?
C22 C23 H23 119.2 . . ?
C34 C23 C22 121.5(2) . . ?
C34 C23 H23 119.2 . . ?
C26 C24 C38 120.0(3) . . ?
C26 C24 C52 120.4(2) . . ?
C38 C24 C52 119.4(3) . . ?
O4 C25 C21 124.7(2) . . ?
O4 C25 C37 116.8(2) . . ?
C21 C25 C37 118.5(3) . . ?
C24 C26 C60 119.8(3) . . ?
C24 C26 C65 120.0(2) . . ?
C65 C26 C60 120.1(3) . . ?
C44 C27 P1 122.40(19) . . ?
C44 C27 C49 119.7(3) . . ?
C49 C27 P1 117.9(2) . . ?
C38 C28 C54 119.8(3) . . ?
C55 C28 C38 120.4(3) . . ?
C55 C28 C54 119.7(3) . . ?
C18 C29 H29 120.0 . . ?
C48 C29 C18 120.1(3) . . ?
C48 C29 H29 120.0 . . ?
C33 C30 H30 120.1 . . ?
C56 C30 H30 120.1 . . ?
C56 C30 C33 119.8(3) . . ?
C12 C31 H31 120.0 . . ?
C12 C31 C53 120.0(2) . . ?
C53 C31 H31 120.0 . . ?
C50 C32 N41 115.5(3) . . ?
C50 C32 C51 119.5(3) . . ?
C51 C32 N41 125.0(2) . . ?
C30 C33 N10 116.5(3) . . ?
C30 C33 C44 120.2(3) . . ?
C44 C33 N10 123.2(2) . . ?
C23 C34 C40 117.8(2) . . ?
C23 C34 C54 123.5(2) . . ?
C40 C34 C54 118.7(2) . . ?
C17 C35 H35 120.3 . . ?
C53 C35 C17 119.3(2) . . ?
C53 C35 H35 120.3 . . ?
C37 C36 H36 119.0 . . ?
C37 C36 C46 122.0(2) . . ?
C46 C36 H36 119.0 . . ?
C25 C37 H37 120.0 . . ?
C36 C37 C25 120.1(3) . . ?
C36 C37 H37 120.0 . . ?
C24 C38 C28 119.8(3) . . ?
C24 C38 C64 119.4(3) . . ?
C28 C38 C64 120.8(3) . . ?
C12 C39 H39 120.1 . . ?
C17 C39 C12 119.8(2) . . ?
C17 C39 H39 120.1 . . ?
C34 C40 H40 119.1 . . ?
C63 C40 C34 121.7(3) . . ?
C63 C40 H40 119.1 . . ?
N10 N41 C32 114.4(2) . . ?
O2 C42 C22 123.2(3) . . ?
O2 C42 C63 117.9(2) . . ?
C63 C42 C22 118.9(3) . . ?
C21 C43 H43 119.4 . . ?
C46 C43 C21 121.2(3) . . ?
C46 C43 H43 119.4 . . ?
C27 C44 H44 120.1 . . ?
C33 C44 C27 119.8(2) . . ?
C33 C44 H44 120.1 . . ?
C57 C45 H45 119.0 . . ?
C59 C45 H45 119.0 . . ?
C59 C45 C57 122.0(3) . . ?
C36 C46 C52 118.6(2) . . ?
C43 C46 C36 117.7(3) . . ?
C43 C46 C52 123.4(3) . . ?
C20 C47 N16 122.6(2) . . ?
C58 C47 N16 116.7(2) . . ?
C58 C47 C20 120.6(3) . . ?
C29 C48 H48 120.0 . . ?
C58 C48 C29 120.0(3) . . ?
C58 C48 H48 120.0 . . ?
C27 C49 H49 120.0 . . ?
C56 C49 C27 119.9(3) . . ?
C56 C49 H49 120.0 . . ?
C32 C50 H50 119.3 . . ?
C57 C50 C32 121.4(3) . . ?
C57 C50 H50 119.3 . . ?
O3 C51 C32 122.6(3) . . ?
O3 C51 C59 118.6(3) . . ?
C59 C51 C32 118.8(3) . . ?
C24 C52 H52A 107.6 . . ?
C24 C52 H52B 107.6 . . ?
C46 C52 C24 118.7(2) . . ?
C46 C52 H52A 107.6 . . ?
C46 C52 H52B 107.6 . . ?
H52A C52 H52B 107.1 . . ?
C31 C53 H53 119.7 . . ?
C35 C53 C31 120.6(2) . . ?
C35 C53 H53 119.7 . . ?
C28 C54 C34 115.5(2) . . ?
C28 C54 H54A 108.4 . . ?
C28 C54 H54B 108.4 . . ?
C34 C54 H54A 108.4 . . ?
C34 C54 H54B 108.4 . . ?
H54A C54 H54B 107.5 . . ?
C28 C55 C62 119.9(3) . . ?
C28 C55 C65 119.5(3) . . ?
C65 C55 C62 120.5(3) . . ?
C30 C56 H56 119.7 . . ?
C49 C56 C30 120.7(3) . . ?
C49 C56 H56 119.7 . . ?
C45 C57 C61 118.9(3) . . ?
C50 C57 C45 117.7(3) . . ?
C50 C57 C61 123.3(3) . . ?
C47 C58 C48 120.0(3) . . ?
C47 C58 H58 120.0 . . ?
C48 C58 H58 120.0 . . ?
C45 C59 C51 120.5(3) . . ?
C45 C59 H59 119.8 . . ?
C51 C59 H59 119.8 . . ?
C26 C60 H60A 109.5 . . ?
C26 C60 H60B 109.5 . . ?
C26 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C57 C61 H61A 107.8 . . ?
C57 C61 H61B 107.8 . . ?
H61A C61 H61B 107.1 . . ?
C65 C61 C57 118.0(2) . . ?
C65 C61 H61A 107.8 . . ?
C65 C61 H61B 107.8 . . ?
C55 C62 H62A 109.5 . . ?
C55 C62 H62B 109.5 . . ?
C55 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C40 C63 C42 120.3(3) . . ?
C40 C63 H63 119.8 . . ?
C42 C63 H63 119.8 . . ?
C38 C64 H64A 109.5 . . ?
C38 C64 H64B 109.5 . . ?
C38 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C26 C65 C55 119.9(3) . . ?
C26 C65 C61 120.7(3) . . ?
C55 C65 C61 119.2(3) . . ?
Cl2 C69 H69 108.4 . . ?
Cl3 C69 Cl2 108.2(3) . . ?
Cl3 C69 H69 108.4 . . ?
Cl5 C69 Cl2 111.7(3) . . ?
Cl5 C69 Cl3 111.7(3) . . ?
Cl5 C69 H69 108.4 . . ?
Cl4 C66 Cl13 109.5(3) . . ?
Cl4 C66 H66 108.3 . . ?
Cl8 C66 Cl4 110.7(3) . . ?
Cl8 C66 Cl13 111.5(4) . . ?
Cl8 C66 H66 108.3 . . ?
Cl13 C66 H66 108.3 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C102 C101 H10A 109.5 . . ?
C102 C101 H10B 109.5 . . ?
C102 C101 H10C 109.5 . . ?
H10D C103 H10E 109.5 . . ?
H10D C103 H10F 109.5 . . ?
H10E C103 H10F 109.5 . . ?
C102 C103 H10D 109.5 . . ?
C102 C103 H10E 109.5 . . ?
C102 C103 H10F 109.5 . . ?
O0AA C102 C101 124.3(13) . . ?
O0AA C102 C103 122.4(13) . . ?
C103 C102 C101 113.0(14) . . ?
H10G C104 H10H 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C105 C104 H10G 109.5 . . ?
C105 C104 H10H 109.5 . . ?
C105 C104 H10I 109.5 . . ?
O1AA C105 C104 130.9(18) . . ?
O1AA C105 C106 128.6(17) . . ?
C104 C105 C106 99.9(16) . . ?
C105 C106 H10J 109.5 . . ?
C105 C106 H10K 109.5 . . ?
C105 C106 H10L 109.5 . . ?
H10J C106 H10K 109.5 . . ?
H10J C106 H10L 109.5 . . ?
H10K C106 H10L 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 C12 C31 C53 177.4(2) . . . . ?
P1 C12 C39 C17 -175.7(2) . . . . ?
P1 C18 C20 C47 -177.5(2) . . . . ?
P1 C18 C29 C48 176.5(2) . . . . ?
P1 C27 C44 C33 -179.2(2) . . . . ?
P1 C27 C49 C56 179.4(2) . . . . ?
O4 C25 C37 C36 -177.8(2) . . . . ?
O3 C51 C59 C45 -179.5(3) . . . . ?
O1 P1 C12 C31 -29.9(3) . . . . ?
O1 P1 C12 C39 148.9(2) . . . . ?
O1 P1 C18 C20 166.7(2) . . . . ?
O1 P1 C18 C29 -10.5(2) . . . . ?
O1 P1 C27 C44 154.3(2) . . . . ?
O1 P1 C27 C49 -24.9(2) . . . . ?
N10 C33 C44 C27 177.6(2) . . . . ?
N11 N14 C17 C35 30.6(4) . . . . ?
N11 N14 C17 C39 -151.9(2) . . . . ?
N11 C21 C25 O4 2.4(4) . . . . ?
N11 C21 C25 C37 -178.4(2) . . . . ?
N11 C21 C43 C46 175.4(2) . . . . ?
C12 P1 C18 C20 -69.7(2) . . . . ?
C12 P1 C18 C29 113.1(2) . . . . ?
C12 P1 C27 C44 31.6(2) . . . . ?
C12 P1 C27 C49 -147.5(2) . . . . ?
C12 C31 C53 C35 -1.1(4) . . . . ?
N14 N11 C21 C25 -168.1(2) . . . . ?
N14 N11 C21 C43 17.3(4) . . . . ?
N14 C17 C35 C53 177.1(3) . . . . ?
N14 C17 C39 C12 -179.8(2) . . . . ?
N15 N16 C47 C20 34.7(4) . . . . ?
N15 N16 C47 C58 -149.6(3) . . . . ?
N15 C22 C23 C34 -179.0(3) . . . . ?
N15 C22 C42 O2 -2.2(5) . . . . ?
N15 C22 C42 C63 176.4(3) . . . . ?
N16 N15 C22 C23 -170.5(3) . . . . ?
N16 N15 C22 C42 11.0(4) . . . . ?
N16 C47 C58 C48 -178.0(2) . . . . ?
C17 C35 C53 C31 1.9(4) . . . . ?
C18 P1 C12 C31 -153.2(2) . . . . ?
C18 P1 C12 C39 25.6(3) . . . . ?
C18 P1 C27 C44 -83.2(2) . . . . ?
C18 P1 C27 C49 97.7(2) . . . . ?
C18 C20 C47 N16 177.4(2) . . . . ?
C18 C20 C47 C58 1.8(4) . . . . ?
C18 C29 C48 C58 0.5(4) . . . . ?
O2 C42 C63 C40 -179.1(3) . . . . ?
C20 C18 C29 C48 -0.8(4) . . . . ?
C20 C47 C58 C48 -2.1(4) . . . . ?
C21 N11 N14 C17 -173.6(2) . . . . ?
C21 C25 C37 C36 3.0(4) . . . . ?
C21 C43 C46 C36 2.1(4) . . . . ?
C21 C43 C46 C52 -172.8(3) . . . . ?
C22 N15 N16 C47 -177.8(2) . . . . ?
C22 C23 C34 C40 2.7(4) . . . . ?
C22 C23 C34 C54 -175.2(3) . . . . ?
C22 C42 C63 C40 2.2(5) . . . . ?
C23 C22 C42 O2 179.3(3) . . . . ?
C23 C22 C42 C63 -2.1(4) . . . . ?
C23 C34 C40 C63 -2.6(4) . . . . ?
C23 C34 C54 C28 -19.7(4) . . . . ?
C24 C26 C65 C55 4.4(4) . . . . ?
C24 C26 C65 C61 -169.9(2) . . . . ?
C25 C21 C43 C46 1.1(4) . . . . ?
C26 C24 C38 C28 6.4(4) . . . . ?
C26 C24 C38 C64 -173.0(3) . . . . ?
C26 C24 C52 C46 89.7(3) . . . . ?
C27 P1 C12 C31 92.9(2) . . . . ?
C27 P1 C12 C39 -88.4(3) . . . . ?
C27 P1 C18 C20 43.8(2) . . . . ?
C27 P1 C18 C29 -133.4(2) . . . . ?
C27 C49 C56 C30 -0.5(5) . . . . ?
C28 C55 C65 C26 -0.3(4) . . . . ?
C28 C55 C65 C61 174.1(2) . . . . ?
C29 C18 C20 C47 -0.3(4) . . . . ?
C29 C48 C58 C47 1.0(4) . . . . ?
C30 C33 C44 C27 0.2(4) . . . . ?
C31 C12 C39 C17 3.1(4) . . . . ?
C32 C50 C57 C45 0.8(4) . . . . ?
C32 C50 C57 C61 179.7(3) . . . . ?
C32 C51 C59 C45 -0.6(4) . . . . ?
C33 N10 N41 C32 179.8(2) . . . . ?
C33 C30 C56 C49 0.5(5) . . . . ?
C34 C40 C63 C42 0.2(5) . . . . ?
C35 C17 C39 C12 -2.3(4) . . . . ?
C36 C46 C52 C24 172.7(3) . . . . ?
C37 C36 C46 C43 -2.8(4) . . . . ?
C37 C36 C46 C52 172.3(3) . . . . ?
C38 C24 C26 C60 171.8(2) . . . . ?
C38 C24 C26 C65 -7.4(4) . . . . ?
C38 C24 C52 C46 -96.1(3) . . . . ?
C38 C28 C54 C34 98.0(3) . . . . ?
C38 C28 C55 C62 179.3(3) . . . . ?
C38 C28 C55 C65 -0.8(4) . . . . ?
C39 C12 C31 C53 -1.4(4) . . . . ?
C39 C17 C35 C53 -0.2(4) . . . . ?
C40 C34 C54 C28 162.4(3) . . . . ?
N41 N10 C33 C30 -169.3(2) . . . . ?
N41 N10 C33 C44 13.1(4) . . . . ?
N41 C32 C50 C57 177.4(2) . . . . ?
N41 C32 C51 O3 1.3(5) . . . . ?
N41 C32 C51 C59 -177.4(3) . . . . ?
C42 C22 C23 C34 -0.4(4) . . . . ?
C43 C21 C25 O4 177.1(2) . . . . ?
C43 C21 C25 C37 -3.7(4) . . . . ?
C43 C46 C52 C24 -12.5(4) . . . . ?
C44 C27 C49 C56 0.3(4) . . . . ?
C45 C57 C61 C65 -155.8(3) . . . . ?
C46 C36 C37 C25 0.3(4) . . . . ?
C49 C27 C44 C33 -0.1(4) . . . . ?
C50 C32 N41 N10 -176.6(2) . . . . ?
C50 C32 C51 O3 -179.1(3) . . . . ?
C50 C32 C51 C59 2.1(4) . . . . ?
C50 C57 C61 C65 25.3(4) . . . . ?
C51 C32 N41 N10 3.0(4) . . . . ?
C51 C32 C50 C57 -2.2(4) . . . . ?
C52 C24 C26 C60 -14.0(4) . . . . ?
C52 C24 C26 C65 166.7(2) . . . . ?
C52 C24 C38 C28 -167.9(2) . . . . ?
C52 C24 C38 C64 12.8(4) . . . . ?
C54 C28 C38 C24 173.3(2) . . . . ?
C54 C28 C38 C64 -7.3(4) . . . . ?
C54 C28 C55 C62 3.7(4) . . . . ?
C54 C28 C55 C65 -176.4(2) . . . . ?
C54 C34 C40 C63 175.4(3) . . . . ?
C55 C28 C38 C24 -2.3(4) . . . . ?
C55 C28 C38 C64 177.1(2) . . . . ?
C55 C28 C54 C34 -86.4(3) . . . . ?
C56 C30 C33 N10 -178.0(3) . . . . ?
C56 C30 C33 C44 -0.3(4) . . . . ?
C57 C45 C59 C51 -0.8(5) . . . . ?
C57 C61 C65 C26 -115.5(3) . . . . ?
C57 C61 C65 C55 70.1(4) . . . . ?
C59 C45 C57 C50 0.7(4) . . . . ?
C59 C45 C57 C61 -178.2(3) . . . . ?
C60 C26 C65 C55 -174.8(2) . . . . ?
C60 C26 C65 C61 10.9(4) . . . . ?
C62 C55 C65 C26 179.7(2) . . . . ?
C62 C55 C65 C61 -5.9(4) . . . . ?

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Chloroform/Acetone'
