# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_shelxl
_database_code_depnum_ccdc_archive 'CCDC 1414516'
_audit_update_record             
;
2015-07-23 deposited with the CCDC.
2015-08-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H30 F N O5'
_chemical_formula_sum            'C32 H30 F N O5'
_chemical_formula_weight         527.57

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.665(2)
_cell_length_b                   18.047(3)
_cell_length_c                   13.710(3)
_cell_angle_alpha                90
_cell_angle_beta                 106.488(5)
_cell_angle_gamma                90
_cell_volume                     2767.5(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    1821
_cell_measurement_theta_min      30.20
_cell_measurement_theta_max      78.90

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_F_000             1112
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.735
_shelx_estimated_absorpt_T_min   0.855
_shelx_estimated_absorpt_T_max   0.917
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.677
_exptl_absorpt_correction_T_max  0.915
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            46860
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         6.302
_diffrn_reflns_theta_max         79.251
_diffrn_reflns_theta_full        67.687
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_point_group_measured_fraction_full 0.981
_reflns_number_total             11424
_reflns_number_gt                10687
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.911
_reflns_Friedel_fraction_max     0.940
_reflns_Friedel_fraction_full    0.977

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b42'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_refine_special_details          
; 
    ENTER TEXT OF LETTER 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0704P)²+0.0931P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0016(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
; 
 Flack x determined using 4818 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.10(6)
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_refine_ls_number_reflns         11424
_refine_ls_number_parameters     712
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0357
_refine_ls_wR_factor_ref         0.1029
_refine_ls_wR_factor_gt          0.1020
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
F1 F -0.16273(14) 0.18374(10) 0.37362(14) 0.0643(4) Uani 1 1 d . . . . .
F2 F 0.06157(16) 0.66019(11) 0.95380(16) 0.0767(6) Uani 1 1 d . . . . .
O1 O 0.19124(17) 0.35980(9) 0.79643(13) 0.0476(4) Uani 1 1 d . . . . .
O2 O 0.3614(2) 0.29341(17) 0.36912(16) 0.0774(7) Uani 1 1 d . . . . .
O3 O 0.5112(3) 0.2354(2) 0.4796(2) 0.1041(11) Uani 1 1 d . . . . .
O4 O -0.02476(17) 0.43906(12) 0.96565(14) 0.0553(5) Uani 1 1 d . . . . .
O5 O 0.15476(15) 0.38813(10) 0.97353(12) 0.0457(4) Uani 1 1 d . . . . .
O6 O 0.52841(14) 0.49445(9) 0.65258(11) 0.0419(3) Uani 1 1 d . . . . .
O7 O 0.6354(3) 0.57053(15) 1.12647(15) 0.0794(8) Uani 1 1 d . . . . .
O8 O 0.7084(2) 0.66119(11) 1.05268(15) 0.0635(5) Uani 1 1 d . . . . .
O9 O 0.75157(16) 0.41380(11) 0.48921(13) 0.0506(4) Uani 1 1 d . . . . .
O10 O 0.57853(15) 0.47324(12) 0.47873(12) 0.0499(4) Uani 1 1 d . . . . .
N1 N 0.04697(16) 0.43886(10) 0.82618(13) 0.0347(4) Uani 1 1 d . . . . .
N2 N 0.67282(15) 0.41431(10) 0.62420(12) 0.0334(3) Uani 1 1 d . . . . .
C1 C 0.12025(19) 0.41000(11) 0.76846(15) 0.0348(4) Uani 1 1 d . . . . .
C2 C 0.08893(18) 0.45155(10) 0.66973(15) 0.0321(4) Uani 1 1 d . . . . .
C3 C -0.00713(18) 0.50270(11) 0.67446(15) 0.0324(4) Uani 1 1 d . . . . .
C4 C -0.03135(18) 0.49357(11) 0.76864(16) 0.0337(4) Uani 1 1 d . . . . .
C5 C -0.1150(2) 0.53660(13) 0.79687(18) 0.0410(5) Uani 1 1 d . . . . .
H5 H -0.1316 0.5290 0.8601 0.049 Uiso 1 1 calc R U . . .
C6 C -0.1738(2) 0.59126(13) 0.7297(2) 0.0439(5) Uani 1 1 d . . . . .
H6 H -0.2314 0.6215 0.7475 0.053 Uiso 1 1 calc R U . . .
C7 C -0.1502(2) 0.60251(13) 0.63743(18) 0.0406(5) Uani 1 1 d . . . . .
H7 H -0.1905 0.6408 0.5933 0.049 Uiso 1 1 calc R U . . .
C8 C -0.0675(2) 0.55793(12) 0.60904(17) 0.0371(4) Uani 1 1 d . . . . .
H8 H -0.0524 0.5652 0.5452 0.045 Uiso 1 1 calc R U . . .
C9 C 0.14771(18) 0.44365(11) 0.59728(15) 0.0322(4) Uani 1 1 d . . . . .
C10 C 0.25873(18) 0.39687(12) 0.61251(15) 0.0358(4) Uani 1 1 d . . . . .
H10A H 0.2659 0.3640 0.6718 0.043 Uiso 1 1 calc R U . . .
H10B H 0.3292 0.4300 0.6293 0.043 Uiso 1 1 calc R U . . .
C11 C 0.26229(18) 0.34863(11) 0.52047(15) 0.0329(4) Uani 1 1 d . . . . .
H11 H 0.2665 0.3829 0.4643 0.039 Uiso 1 1 calc R U . . .
C12 C 0.37426(19) 0.30029(12) 0.54515(17) 0.0382(4) Uani 1 1 d . . . . .
C13 C 0.4117(2) 0.27656(16) 0.4542(2) 0.0522(6) Uani 1 1 d . . . . .
C14 C 0.5537(6) 0.2102(5) 0.3961(4) 0.152(3) Uani 1 1 d . . . . .
H14A H 0.5015 0.1707 0.3593 0.182 Uiso 1 1 calc R U . . .
H14B H 0.6354 0.1912 0.4225 0.182 Uiso 1 1 calc R U . . .
H14C H 0.5532 0.2516 0.3497 0.182 Uiso 1 1 calc R U . . .
C15 C 0.4353(2) 0.27824(15) 0.6374(2) 0.0514(6) Uani 1 1 d . . . . .
H15A H 0.5032 0.2472 0.6461 0.062 Uiso 1 1 calc R U . . .
H15B H 0.4112 0.2935 0.6949 0.062 Uiso 1 1 calc R U . . .
C16 C 0.11042(19) 0.48449(11) 0.49872(16) 0.0356(4) Uani 1 1 d . . . . .
C17 C 0.0001(2) 0.47109(14) 0.42778(17) 0.0428(5) Uani 1 1 d . . . . .
H17 H -0.0543 0.4373 0.4438 0.051 Uiso 1 1 calc R U . . .
C18 C -0.0309(3) 0.50651(16) 0.3344(2) 0.0540(6) Uani 1 1 d . . . . .
H18 H -0.1063 0.4969 0.2869 0.065 Uiso 1 1 calc R U . . .
C19 C 0.0475(3) 0.55584(17) 0.3100(2) 0.0618(8) Uani 1 1 d . . . . .
H19 H 0.0262 0.5800 0.2458 0.074 Uiso 1 1 calc R U . . .
C20 C 0.1566(3) 0.56980(17) 0.3792(3) 0.0622(8) Uani 1 1 d . . . . .
H20 H 0.2099 0.6043 0.3628 0.075 Uiso 1 1 calc R U . . .
C21 C 0.1894(2) 0.53379(14) 0.4730(2) 0.0489(6) Uani 1 1 d . . . . .
H21 H 0.2657 0.5428 0.5194 0.059 Uiso 1 1 calc R U . . .
C22 C 0.15017(18) 0.30233(11) 0.48180(15) 0.0325(4) Uani 1 1 d . . . . .
C23 C 0.1080(2) 0.25737(14) 0.54617(17) 0.0432(5) Uani 1 1 d . . . . .
H23 H 0.1520 0.2536 0.6159 0.052 Uiso 1 1 calc R U . . .
C24 C 0.0015(2) 0.21757(15) 0.50987(19) 0.0485(6) Uani 1 1 d . . . . .
H24 H -0.0279 0.1874 0.5542 0.058 Uiso 1 1 calc R U . . .
C25 C -0.0590(2) 0.22321(14) 0.4092(2) 0.0453(5) Uani 1 1 d . . . . .
C26 C -0.0199(2) 0.26531(13) 0.34270(18) 0.0461(5) Uani 1 1 d . . . . .
H26 H -0.0637 0.2674 0.2728 0.055 Uiso 1 1 calc R U . . .
C27 C 0.0851(2) 0.30503(12) 0.37928(17) 0.0404(5) Uani 1 1 d . . . . .
H27 H 0.1134 0.3347 0.3337 0.049 Uiso 1 1 calc R U . . .
C28 C 0.0530(2) 0.42184(12) 0.92842(16) 0.0381(4) Uani 1 1 d . . . . .
C29 C 0.1801(2) 0.36059(14) 1.08018(17) 0.0459(5) Uani 1 1 d . . . . .
C30 C 0.0946(3) 0.29912(18) 1.0835(2) 0.0624(7) Uani 1 1 d . . . . .
H30A H 0.0161 0.3201 1.0804 0.075 Uiso 1 1 calc R U . . .
H30B H 0.1247 0.2711 1.1469 0.075 Uiso 1 1 calc R U . . .
H30C H 0.0871 0.2660 1.0254 0.075 Uiso 1 1 calc R U . . .
C31 C 0.1777(3) 0.42319(17) 1.1531(2) 0.0593(7) Uani 1 1 d . . . . .
H31A H 0.2239 0.4652 1.1390 0.071 Uiso 1 1 calc R U . . .
H31B H 0.2129 0.4063 1.2231 0.071 Uiso 1 1 calc R U . . .
H31C H 0.0949 0.4386 1.1443 0.071 Uiso 1 1 calc R U . . .
C32 C 0.3069(3) 0.3317(2) 1.0990(2) 0.0609(7) Uani 1 1 d . . . . .
H32A H 0.3085 0.2937 1.0484 0.073 Uiso 1 1 calc R U . . .
H32B H 0.3341 0.3101 1.1673 0.073 Uiso 1 1 calc R U . . .
H32C H 0.3599 0.3726 1.0935 0.073 Uiso 1 1 calc R U . . .
C33 C 0.59981(18) 0.44458(12) 0.68082(14) 0.0329(4) Uani 1 1 d . . . . .
C34 C 0.63174(18) 0.40420(11) 0.78101(14) 0.0330(4) Uani 1 1 d . . . . .
C35 C 0.72742(18) 0.35178(11) 0.77729(15) 0.0334(4) Uani 1 1 d . . . . .
C36 C 0.75087(18) 0.35953(11) 0.68274(15) 0.0327(4) Uani 1 1 d . . . . .
C37 C 0.8374(2) 0.31797(13) 0.65632(17) 0.0396(5) Uani 1 1 d . . . . .
H37 H 0.8529 0.3242 0.5924 0.048 Uiso 1 1 calc R U . . .
C38 C 0.9008(2) 0.26664(13) 0.72721(18) 0.0421(5) Uani 1 1 d . . . . .
H38 H 0.9613 0.2378 0.7115 0.051 Uiso 1 1 calc R U . . .
C39 C 0.8779(2) 0.25671(13) 0.81985(18) 0.0427(5) Uani 1 1 d . . . . .
H39 H 0.9219 0.2208 0.8663 0.051 Uiso 1 1 calc R U . . .
C40 C 0.7910(2) 0.29892(13) 0.84561(16) 0.0404(5) Uani 1 1 d . . . . .
H40 H 0.7751 0.2918 0.9092 0.049 Uiso 1 1 calc R U . . .
C41 C 0.57708(18) 0.41441(11) 0.85511(14) 0.0328(4) Uani 1 1 d . . . . .
C42 C 0.46930(19) 0.46320(12) 0.84795(15) 0.0341(4) Uani 1 1 d . . . . .
H42A H 0.3988 0.4313 0.8431 0.041 Uiso 1 1 calc R U . . .
H42B H 0.4528 0.4930 0.7849 0.041 Uiso 1 1 calc R U . . .
C43 C 0.48609(18) 0.51583(11) 0.93943(14) 0.0318(4) Uani 1 1 d . . . . .
H43 H 0.5123 0.4850 1.0024 0.038 Uiso 1 1 calc R U . . .
C44 C 0.58196(19) 0.57429(12) 0.94585(16) 0.0374(4) Uani 1 1 d . . . . .
C45 C 0.6435(2) 0.60051(14) 1.05060(18) 0.0454(5) Uani 1 1 d . . . . .
C46 C 0.7711(4) 0.6887(2) 1.1527(3) 0.0793(11) Uani 1 1 d . . . . .
H46A H 0.7132 0.7010 1.1899 0.095 Uiso 1 1 calc R U . . .
H46B H 0.8165 0.7331 1.1461 0.095 Uiso 1 1 calc R U . . .
H46C H 0.8261 0.6505 1.1900 0.095 Uiso 1 1 calc R U . . .
C47 C 0.6106(3) 0.60204(17) 0.8668(2) 0.0553(7) Uani 1 1 d . . . . .
H47A H 0.6708 0.6390 0.8765 0.066 Uiso 1 1 calc R U . . .
H47B H 0.5710 0.5851 0.8001 0.066 Uiso 1 1 calc R U . . .
C48 C 0.61753(19) 0.37234(11) 0.95320(15) 0.0342(4) Uani 1 1 d . . . . .
C49 C 0.5505(2) 0.31339(14) 0.9724(2) 0.0478(5) Uani 1 1 d . . . . .
H49 H 0.4798 0.2989 0.9221 0.057 Uiso 1 1 calc R U . . .
C50 C 0.5854(3) 0.27551(17) 1.0638(2) 0.0582(7) Uani 1 1 d . . . . .
H50 H 0.5400 0.2344 1.0751 0.070 Uiso 1 1 calc R U . . .
C51 C 0.6861(3) 0.29753(17) 1.1385(2) 0.0538(6) Uani 1 1 d . . . . .
H51 H 0.7092 0.2721 1.2018 0.065 Uiso 1 1 calc R U . . .
C52 C 0.7537(2) 0.35689(15) 1.12113(19) 0.0510(6) Uani 1 1 d . . . . .
H52 H 0.8228 0.3723 1.1726 0.061 Uiso 1 1 calc R U . . .
C53 C 0.7198(2) 0.39376(14) 1.02798(17) 0.0428(5) Uani 1 1 d . . . . .
H53 H 0.7669 0.4337 1.0156 0.051 Uiso 1 1 calc R U . . .
C54 C 0.36958(18) 0.55409(11) 0.94071(15) 0.0326(4) Uani 1 1 d . . . . .
C55 C 0.2871(2) 0.57931(13) 0.85280(17) 0.0400(5) Uani 1 1 d . . . . .
H55 H 0.3021 0.5721 0.7889 0.048 Uiso 1 1 calc R U . . .
C56 C 0.1829(2) 0.61501(13) 0.8569(2) 0.0462(5) Uani 1 1 d . . . . .
H56 H 0.1263 0.6317 0.7964 0.055 Uiso 1 1 calc R U . . .
C57 C 0.1633(2) 0.62558(13) 0.9493(2) 0.0495(6) Uani 1 1 d . . . . .
C58 C 0.2430(3) 0.60211(18) 1.0389(2) 0.0589(7) Uani 1 1 d . . . . .
H58 H 0.2280 0.6106 1.1025 0.071 Uiso 1 1 calc R U . . .
C59 C 0.3454(2) 0.56591(15) 1.03330(18) 0.0472(5) Uani 1 1 d . . . . .
H59 H 0.4007 0.5487 1.0941 0.057 Uiso 1 1 calc R U . . .
C60 C 0.67321(19) 0.43347(13) 0.52413(15) 0.0370(4) Uani 1 1 d . . . . .
C61 C 0.5658(2) 0.50400(16) 0.37532(16) 0.0472(5) Uani 1 1 d . . . . .
C62 C 0.4445(3) 0.5415(2) 0.3525(2) 0.0748(10) Uani 1 1 d . . . . .
H62A H 0.4459 0.5788 0.4049 0.090 Uiso 1 1 calc R U . . .
H62B H 0.3830 0.5044 0.3521 0.090 Uiso 1 1 calc R U . . .
H62C H 0.4262 0.5656 0.2858 0.090 Uiso 1 1 calc R U . . .
C63 C 0.6637(3) 0.55930(18) 0.3802(2) 0.0588(7) Uani 1 1 d . . . . .
H63A H 0.6612 0.5981 0.4296 0.071 Uiso 1 1 calc R U . . .
H63B H 0.6524 0.5817 0.3130 0.071 Uiso 1 1 calc R U . . .
H63C H 0.7414 0.5342 0.4012 0.071 Uiso 1 1 calc R U . . .
C64 C 0.5619(3) 0.44205(19) 0.29926(19) 0.0613(7) Uani 1 1 d . . . . .
H64A H 0.5412 0.4627 0.2303 0.074 Uiso 1 1 calc R U . . .
H64B H 0.5015 0.4055 0.3038 0.074 Uiso 1 1 calc R U . . .
H64C H 0.6404 0.4181 0.3146 0.074 Uiso 1 1 calc R U . . .


_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
F1 C25 1.369(3) . ?
F2 C57 1.358(3) . ?
O1 C1 1.214(3) . ?
O2 C13 1.187(4) . ?
O3 C13 1.338(3) . ?
O3 C14 1.445(5) . ?
O4 C28 1.201(3) . ?
O5 C28 1.321(3) . ?
O5 C29 1.492(3) . ?
O6 C33 1.213(3) . ?
O7 C45 1.200(3) . ?
O8 C45 1.327(3) . ?
O8 C46 1.447(4) . ?
O9 C60 1.200(3) . ?
O10 C60 1.316(3) . ?
O10 C61 1.490(3) . ?
N1 C28 1.417(3) . ?
N1 C1 1.419(3) . ?
N1 C4 1.422(3) . ?
N2 C33 1.415(3) . ?
N2 C60 1.416(3) . ?
N2 C36 1.427(3) . ?
C1 C2 1.499(3) . ?
C2 C9 1.365(3) . ?
C2 C3 1.467(3) . ?
C3 C8 1.391(3) . ?
C3 C4 1.408(3) . ?
C4 C5 1.385(3) . ?
C5 C6 1.391(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.384(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.393(3) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C16 1.492(3) . ?
C9 C10 1.510(3) . ?
C10 C11 1.543(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C22 1.515(3) . ?
C11 C12 1.527(3) . ?
C11 H11 1.0000 . ?
C12 C15 1.324(4) . ?
C12 C13 1.496(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9500 . ?
C15 H15B 0.9500 . ?
C16 C17 1.396(3) . ?
C16 C21 1.397(3) . ?
C17 C18 1.384(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.377(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.394(4) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.388(3) . ?
C22 C27 1.396(3) . ?
C23 C24 1.398(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.364(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.361(4) . ?
C26 C27 1.385(3) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C29 C30 1.501(4) . ?
C29 C31 1.514(4) . ?
C29 C32 1.520(4) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.505(3) . ?
C34 C41 1.357(3) . ?
C34 C35 1.475(3) . ?
C35 C40 1.394(3) . ?
C35 C36 1.406(3) . ?
C36 C37 1.386(3) . ?
C37 C38 1.394(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.382(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.392(3) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C48 1.499(3) . ?
C41 C42 1.515(3) . ?
C42 C43 1.541(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.522(3) . ?
C43 C54 1.529(3) . ?
C43 H43 1.0000 . ?
C44 C47 1.320(3) . ?
C44 C45 1.489(3) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9500 . ?
C47 H47B 0.9500 . ?
C48 C49 1.389(3) . ?
C48 C53 1.389(3) . ?
C49 C50 1.383(4) . ?
C49 H49 0.9500 . ?
C50 C51 1.380(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.390(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.394(3) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C54 C55 1.388(3) . ?
C54 C59 1.393(3) . ?
C55 C56 1.392(3) . ?
C55 H55 0.9500 . ?
C56 C57 1.363(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.380(4) . ?
C58 C59 1.382(4) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C61 C63 1.504(4) . ?
C61 C62 1.519(4) . ?
C61 C64 1.521(4) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 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
C13 O3 C14 115.9(3) . . ?
C28 O5 C29 120.92(18) . . ?
C45 O8 C46 115.8(2) . . ?
C60 O10 C61 119.80(17) . . ?
C28 N1 C1 127.13(18) . . ?
C28 N1 C4 122.88(18) . . ?
C1 N1 C4 109.84(16) . . ?
C33 N2 C60 127.25(18) . . ?
C33 N2 C36 110.27(16) . . ?
C60 N2 C36 122.49(17) . . ?
O1 C1 N1 124.26(19) . . ?
O1 C1 C2 128.92(19) . . ?
N1 C1 C2 106.80(17) . . ?
C9 C2 C3 130.20(19) . . ?
C9 C2 C1 124.10(19) . . ?
C3 C2 C1 105.56(17) . . ?
C8 C3 C4 118.59(19) . . ?
C8 C3 C2 132.49(19) . . ?
C4 C3 C2 108.76(18) . . ?
C5 C4 C3 122.1(2) . . ?
C5 C4 N1 128.81(19) . . ?
C3 C4 N1 108.99(18) . . ?
C4 C5 C6 117.8(2) . . ?
C4 C5 H5 121.1 . . ?
C6 C5 H5 121.1 . . ?
C7 C6 C5 121.4(2) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C6 C7 C8 120.3(2) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C3 C8 C7 119.8(2) . . ?
C3 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C2 C9 C16 122.00(18) . . ?
C2 C9 C10 123.09(19) . . ?
C16 C9 C10 114.82(17) . . ?
C9 C10 C11 115.05(16) . . ?
C9 C10 H10A 108.5 . . ?
C11 C10 H10A 108.5 . . ?
C9 C10 H10B 108.5 . . ?
C11 C10 H10B 108.5 . . ?
H10A C10 H10B 107.5 . . ?
C22 C11 C12 111.20(17) . . ?
C22 C11 C10 112.10(16) . . ?
C12 C11 C10 111.16(17) . . ?
C22 C11 H11 107.4 . . ?
C12 C11 H11 107.4 . . ?
C10 C11 H11 107.4 . . ?
C15 C12 C13 120.3(2) . . ?
C15 C12 C11 125.3(2) . . ?
C13 C12 C11 114.37(19) . . ?
O2 C13 O3 123.2(3) . . ?
O2 C13 C12 124.5(2) . . ?
O3 C13 C12 112.3(2) . . ?
O3 C14 H14A 109.5 . . ?
O3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 120.0 . . ?
C12 C15 H15B 120.0 . . ?
H15A C15 H15B 120.0 . . ?
C17 C16 C21 118.6(2) . . ?
C17 C16 C9 121.3(2) . . ?
C21 C16 C9 120.0(2) . . ?
C18 C17 C16 120.8(2) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 120.2(3) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C20 C19 C18 119.7(3) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 C21 120.5(3) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C16 120.1(3) . . ?
C20 C21 H21 119.9 . . ?
C16 C21 H21 119.9 . . ?
C23 C22 C27 118.1(2) . . ?
C23 C22 C11 121.78(18) . . ?
C27 C22 C11 120.12(19) . . ?
C22 C23 C24 120.9(2) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C25 C24 C23 118.3(2) . . ?
C25 C24 H24 120.8 . . ?
C23 C24 H24 120.8 . . ?
C26 C25 C24 123.0(2) . . ?
C26 C25 F1 118.8(2) . . ?
C24 C25 F1 118.2(2) . . ?
C25 C26 C27 118.4(2) . . ?
C25 C26 H26 120.8 . . ?
C27 C26 H26 120.8 . . ?
C26 C27 C22 121.3(2) . . ?
C26 C27 H27 119.4 . . ?
C22 C27 H27 119.4 . . ?
O4 C28 O5 127.4(2) . . ?
O4 C28 N1 122.2(2) . . ?
O5 C28 N1 110.41(18) . . ?
O5 C29 C30 109.1(2) . . ?
O5 C29 C31 111.3(2) . . ?
C30 C29 C31 113.3(2) . . ?
O5 C29 C32 101.14(19) . . ?
C30 C29 C32 111.4(3) . . ?
C31 C29 C32 110.1(2) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O6 C33 N2 125.25(19) . . ?
O6 C33 C34 128.34(19) . . ?
N2 C33 C34 106.39(17) . . ?
C41 C34 C35 129.36(18) . . ?
C41 C34 C33 124.78(19) . . ?
C35 C34 C33 105.82(16) . . ?
C40 C35 C36 118.83(19) . . ?
C40 C35 C34 132.77(19) . . ?
C36 C35 C34 108.38(17) . . ?
C37 C36 C35 122.3(2) . . ?
C37 C36 N2 128.60(19) . . ?
C35 C36 N2 109.11(17) . . ?
C36 C37 C38 117.3(2) . . ?
C36 C37 H37 121.3 . . ?
C38 C37 H37 121.3 . . ?
C39 C38 C37 121.6(2) . . ?
C39 C38 H38 119.2 . . ?
C37 C38 H38 119.2 . . ?
C38 C39 C40 120.5(2) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C39 C40 C35 119.4(2) . . ?
C39 C40 H40 120.3 . . ?
C35 C40 H40 120.3 . . ?
C34 C41 C48 120.52(19) . . ?
C34 C41 C42 126.03(18) . . ?
C48 C41 C42 113.37(17) . . ?
C41 C42 C43 113.21(16) . . ?
C41 C42 H42A 108.9 . . ?
C43 C42 H42A 108.9 . . ?
C41 C42 H42B 108.9 . . ?
C43 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
C44 C43 C54 109.10(16) . . ?
C44 C43 C42 113.33(17) . . ?
C54 C43 C42 112.31(16) . . ?
C44 C43 H43 107.3 . . ?
C54 C43 H43 107.3 . . ?
C42 C43 H43 107.3 . . ?
C47 C44 C45 120.4(2) . . ?
C47 C44 C43 124.6(2) . . ?
C45 C44 C43 114.91(19) . . ?
O7 C45 O8 122.6(2) . . ?
O7 C45 C44 123.9(2) . . ?
O8 C45 C44 113.5(2) . . ?
O8 C46 H46A 109.5 . . ?
O8 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
O8 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 H47A 120.0 . . ?
C44 C47 H47B 120.0 . . ?
H47A C47 H47B 120.0 . . ?
C49 C48 C53 119.0(2) . . ?
C49 C48 C41 120.5(2) . . ?
C53 C48 C41 120.46(19) . . ?
C50 C49 C48 120.9(2) . . ?
C50 C49 H49 119.5 . . ?
C48 C49 H49 119.5 . . ?
C51 C50 C49 120.0(2) . . ?
C51 C50 H50 120.0 . . ?
C49 C50 H50 120.0 . . ?
C50 C51 C52 119.9(2) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C51 C52 C53 119.9(2) . . ?
C51 C52 H52 120.1 . . ?
C53 C52 H52 120.1 . . ?
C48 C53 C52 120.3(2) . . ?
C48 C53 H53 119.9 . . ?
C52 C53 H53 119.9 . . ?
C55 C54 C59 118.1(2) . . ?
C55 C54 C43 122.49(18) . . ?
C59 C54 C43 119.35(18) . . ?
C54 C55 C56 121.0(2) . . ?
C54 C55 H55 119.5 . . ?
C56 C55 H55 119.5 . . ?
C57 C56 C55 118.7(2) . . ?
C57 C56 H56 120.6 . . ?
C55 C56 H56 120.6 . . ?
F2 C57 C56 119.0(2) . . ?
F2 C57 C58 118.5(2) . . ?
C56 C57 C58 122.4(2) . . ?
C57 C58 C59 118.1(2) . . ?
C57 C58 H58 121.0 . . ?
C59 C58 H58 121.0 . . ?
C58 C59 C54 121.6(2) . . ?
C58 C59 H59 119.2 . . ?
C54 C59 H59 119.2 . . ?
O9 C60 O10 127.2(2) . . ?
O9 C60 N2 121.8(2) . . ?
O10 C60 N2 111.00(18) . . ?
O10 C61 C63 109.6(2) . . ?
O10 C61 C62 101.40(19) . . ?
C63 C61 C62 111.4(3) . . ?
O10 C61 C64 110.7(2) . . ?
C63 C61 C64 113.1(2) . . ?
C62 C61 C64 110.0(3) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 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
C28 N1 C1 O1 8.3(3) . . . . ?
C4 N1 C1 O1 -176.0(2) . . . . ?
C28 N1 C1 C2 -173.32(19) . . . . ?
C4 N1 C1 C2 2.3(2) . . . . ?
O1 C1 C2 C9 -7.4(3) . . . . ?
N1 C1 C2 C9 174.35(18) . . . . ?
O1 C1 C2 C3 176.5(2) . . . . ?
N1 C1 C2 C3 -1.7(2) . . . . ?
C9 C2 C3 C8 -0.1(4) . . . . ?
C1 C2 C3 C8 175.7(2) . . . . ?
C9 C2 C3 C4 -175.2(2) . . . . ?
C1 C2 C3 C4 0.6(2) . . . . ?
C8 C3 C4 C5 1.5(3) . . . . ?
C2 C3 C4 C5 177.39(19) . . . . ?
C8 C3 C4 N1 -175.09(17) . . . . ?
C2 C3 C4 N1 0.8(2) . . . . ?
C28 N1 C4 C5 -2.4(3) . . . . ?
C1 N1 C4 C5 -178.3(2) . . . . ?
C28 N1 C4 C3 173.85(18) . . . . ?
C1 N1 C4 C3 -2.0(2) . . . . ?
C3 C4 C5 C6 -1.4(3) . . . . ?
N1 C4 C5 C6 174.4(2) . . . . ?
C4 C5 C6 C7 0.1(4) . . . . ?
C5 C6 C7 C8 1.1(4) . . . . ?
C4 C3 C8 C7 -0.2(3) . . . . ?
C2 C3 C8 C7 -175.0(2) . . . . ?
C6 C7 C8 C3 -1.0(3) . . . . ?
C3 C2 C9 C16 -7.0(3) . . . . ?
C1 C2 C9 C16 177.93(18) . . . . ?
C3 C2 C9 C10 169.38(19) . . . . ?
C1 C2 C9 C10 -5.7(3) . . . . ?
C2 C9 C10 C11 137.4(2) . . . . ?
C16 C9 C10 C11 -46.0(2) . . . . ?
C9 C10 C11 C22 -51.7(2) . . . . ?
C9 C10 C11 C12 -176.82(18) . . . . ?
C22 C11 C12 C15 -100.3(3) . . . . ?
C10 C11 C12 C15 25.3(3) . . . . ?
C22 C11 C12 C13 78.3(2) . . . . ?
C10 C11 C12 C13 -156.0(2) . . . . ?
C14 O3 C13 O2 -1.6(7) . . . . ?
C14 O3 C13 C12 -179.9(5) . . . . ?
C15 C12 C13 O2 179.4(3) . . . . ?
C11 C12 C13 O2 0.7(4) . . . . ?
C15 C12 C13 O3 -2.3(4) . . . . ?
C11 C12 C13 O3 179.0(3) . . . . ?
C2 C9 C16 C17 -65.2(3) . . . . ?
C10 C9 C16 C17 118.2(2) . . . . ?
C2 C9 C16 C21 119.0(2) . . . . ?
C10 C9 C16 C21 -57.7(2) . . . . ?
C21 C16 C17 C18 -0.7(3) . . . . ?
C9 C16 C17 C18 -176.6(2) . . . . ?
C16 C17 C18 C19 0.1(4) . . . . ?
C17 C18 C19 C20 -0.2(4) . . . . ?
C18 C19 C20 C21 1.0(4) . . . . ?
C19 C20 C21 C16 -1.7(4) . . . . ?
C17 C16 C21 C20 1.5(3) . . . . ?
C9 C16 C21 C20 177.5(2) . . . . ?
C12 C11 C22 C23 73.1(2) . . . . ?
C10 C11 C22 C23 -52.0(3) . . . . ?
C12 C11 C22 C27 -107.9(2) . . . . ?
C10 C11 C22 C27 126.9(2) . . . . ?
C27 C22 C23 C24 -1.8(3) . . . . ?
C11 C22 C23 C24 177.2(2) . . . . ?
C22 C23 C24 C25 0.9(4) . . . . ?
C23 C24 C25 C26 0.5(4) . . . . ?
C23 C24 C25 F1 179.5(2) . . . . ?
C24 C25 C26 C27 -1.0(4) . . . . ?
F1 C25 C26 C27 -180.0(2) . . . . ?
C25 C26 C27 C22 0.1(4) . . . . ?
C23 C22 C27 C26 1.3(3) . . . . ?
C11 C22 C27 C26 -177.7(2) . . . . ?
C29 O5 C28 O4 5.6(4) . . . . ?
C29 O5 C28 N1 -176.60(18) . . . . ?
C1 N1 C28 O4 -167.2(2) . . . . ?
C4 N1 C28 O4 17.7(3) . . . . ?
C1 N1 C28 O5 14.9(3) . . . . ?
C4 N1 C28 O5 -160.19(18) . . . . ?
C28 O5 C29 C30 66.0(3) . . . . ?
C28 O5 C29 C31 -59.7(3) . . . . ?
C28 O5 C29 C32 -176.6(2) . . . . ?
C60 N2 C33 O6 -3.0(3) . . . . ?
C36 N2 C33 O6 176.7(2) . . . . ?
C60 N2 C33 C34 178.52(19) . . . . ?
C36 N2 C33 C34 -1.8(2) . . . . ?
O6 C33 C34 C41 5.1(3) . . . . ?
N2 C33 C34 C41 -176.46(18) . . . . ?
O6 C33 C34 C35 -177.2(2) . . . . ?
N2 C33 C34 C35 1.3(2) . . . . ?
C41 C34 C35 C40 -1.0(4) . . . . ?
C33 C34 C35 C40 -178.5(2) . . . . ?
C41 C34 C35 C36 177.3(2) . . . . ?
C33 C34 C35 C36 -0.3(2) . . . . ?
C40 C35 C36 C37 -2.0(3) . . . . ?
C34 C35 C36 C37 179.51(19) . . . . ?
C40 C35 C36 N2 177.72(18) . . . . ?
C34 C35 C36 N2 -0.8(2) . . . . ?
C33 N2 C36 C37 -178.7(2) . . . . ?
C60 N2 C36 C37 1.0(3) . . . . ?
C33 N2 C36 C35 1.7(2) . . . . ?
C60 N2 C36 C35 -178.63(18) . . . . ?
C35 C36 C37 C38 0.7(3) . . . . ?
N2 C36 C37 C38 -178.9(2) . . . . ?
C36 C37 C38 C39 0.7(3) . . . . ?
C37 C38 C39 C40 -0.9(4) . . . . ?
C38 C39 C40 C35 -0.4(4) . . . . ?
C36 C35 C40 C39 1.7(3) . . . . ?
C34 C35 C40 C39 179.8(2) . . . . ?
C35 C34 C41 C48 4.1(3) . . . . ?
C33 C34 C41 C48 -178.75(18) . . . . ?
C35 C34 C41 C42 -172.27(19) . . . . ?
C33 C34 C41 C42 4.9(3) . . . . ?
C34 C41 C42 C43 -130.6(2) . . . . ?
C48 C41 C42 C43 52.9(2) . . . . ?
C41 C42 C43 C44 66.3(2) . . . . ?
C41 C42 C43 C54 -169.51(16) . . . . ?
C54 C43 C44 C47 -96.3(3) . . . . ?
C42 C43 C44 C47 29.7(3) . . . . ?
C54 C43 C44 C45 82.9(2) . . . . ?
C42 C43 C44 C45 -151.15(19) . . . . ?
C46 O8 C45 O7 1.0(4) . . . . ?
C46 O8 C45 C44 -179.4(3) . . . . ?
C47 C44 C45 O7 -168.3(3) . . . . ?
C43 C44 C45 O7 12.4(4) . . . . ?
C47 C44 C45 O8 12.1(4) . . . . ?
C43 C44 C45 O8 -167.2(2) . . . . ?
C34 C41 C48 C49 -104.8(2) . . . . ?
C42 C41 C48 C49 72.0(2) . . . . ?
C34 C41 C48 C53 78.0(3) . . . . ?
C42 C41 C48 C53 -105.3(2) . . . . ?
C53 C48 C49 C50 -1.0(4) . . . . ?
C41 C48 C49 C50 -178.2(2) . . . . ?
C48 C49 C50 C51 1.9(4) . . . . ?
C49 C50 C51 C52 -1.2(5) . . . . ?
C50 C51 C52 C53 -0.3(4) . . . . ?
C49 C48 C53 C52 -0.6(3) . . . . ?
C41 C48 C53 C52 176.7(2) . . . . ?
C51 C52 C53 C48 1.3(4) . . . . ?
C44 C43 C54 C55 87.4(2) . . . . ?
C42 C43 C54 C55 -39.1(3) . . . . ?
C44 C43 C54 C59 -91.1(2) . . . . ?
C42 C43 C54 C59 142.3(2) . . . . ?
C59 C54 C55 C56 -0.4(3) . . . . ?
C43 C54 C55 C56 -178.9(2) . . . . ?
C54 C55 C56 C57 0.7(4) . . . . ?
C55 C56 C57 F2 -179.8(2) . . . . ?
C55 C56 C57 C58 -0.1(4) . . . . ?
F2 C57 C58 C59 179.0(3) . . . . ?
C56 C57 C58 C59 -0.7(5) . . . . ?
C57 C58 C59 C54 1.0(5) . . . . ?
C55 C54 C59 C58 -0.4(4) . . . . ?
C43 C54 C59 C58 178.1(2) . . . . ?
C61 O10 C60 O9 -5.1(4) . . . . ?
C61 O10 C60 N2 175.5(2) . . . . ?
C33 N2 C60 O9 167.2(2) . . . . ?
C36 N2 C60 O9 -12.4(3) . . . . ?
C33 N2 C60 O10 -13.4(3) . . . . ?
C36 N2 C60 O10 167.00(19) . . . . ?
C60 O10 C61 C63 -64.6(3) . . . . ?
C60 O10 C61 C62 177.6(3) . . . . ?
C60 O10 C61 C64 60.9(3) . . . . ?

_refine_diff_density_max         0.218
_refine_diff_density_min         -0.163
_refine_diff_density_rms         0.031



