# Electronic Supplementary Material (ESI) for Polymer Chemistry.
# 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_mo_yoann1_0m
_database_code_depnum_ccdc_archive 'CCDC 1415451'

_audit_update_record             
;
2015-07-27 deposited with the CCDC.
2015-09-10 downloaded from the CCDC.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H21 N1.50 O6 P1.50'
_chemical_formula_sum            'C27 H21 N1.50 O6 P1.50'
_chemical_formula_weight         508.91

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'
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           5
_space_group_name_H-M_alt        'C 2'
_space_group_name_Hall           'C 2y'

_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, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   18.901(2)
_cell_length_b                   7.5595(9)
_cell_length_c                   17.833(2)
_cell_angle_alpha                90
_cell_angle_beta                 111.235(2)
_cell_angle_gamma                90
_cell_volume                     2374.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    5832
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      27.52

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_F_000             1056
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.583
_exptl_crystal_size_mid          0.418
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.196
_shelx_estimated_absorpt_T_min   0.894
_shelx_estimated_absorpt_T_max   0.977
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7066
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           ?

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14096
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.225
_diffrn_reflns_theta_max         27.669
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5478
_reflns_number_gt                5004
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.841
_reflns_Friedel_fraction_max     0.972
_reflns_Friedel_fraction_full    1.000

_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
; 
 w=1/[σ²(Fo²)+(0.0329P)²+0.6412P] 
 where P=(Fo²+2Fc²)/3 
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 2116 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   0.07(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         5478
_refine_ls_number_parameters     326
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0310
_refine_ls_wR_factor_ref         0.0693
_refine_ls_wR_factor_gt          0.0667
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_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
P1 P 0.5000 0.44796(10) 0.5000 0.01529(18) Uani 1 2 d S T P . .
P2 P 0.56920(3) 0.12904(8) 0.56291(3) 0.01511(13) Uani 1 1 d . . . . .
O1 O 0.43407(11) 0.5366(3) 0.84159(11) 0.0392(5) Uani 1 1 d . . . . .
O2 O 0.47457(9) 0.5908(2) 0.55014(9) 0.0208(4) Uani 1 1 d . . . . .
O3 O 0.57376(9) 0.0657(2) 0.64912(9) 0.0189(4) Uani 1 1 d . . . . .
O4 O 0.73128(10) 0.3698(3) 0.94575(10) 0.0307(4) Uani 1 1 d . . . . .
O5 O 0.64702(9) 0.0459(2) 0.56383(9) 0.0185(3) Uani 1 1 d . . . . .
O6 O 0.73530(9) 0.0805(2) 0.30021(10) 0.0250(4) Uani 1 1 d . . . . .
N1 N 0.57058(11) 0.3380(2) 0.55677(12) 0.0173(4) Uani 1 1 d . . . . .
N2 N 0.5000 0.0275(4) 0.5000 0.0176(6) Uani 1 2 d S T P . .
C1 C 0.4482(2) 0.0901(7) 0.8859(2) 0.0698(13) Uani 1 1 d . . . . .
H1 H 0.4715 -0.0230 0.8979 0.084 Uiso 1 1 calc R U . . .
C2 C 0.41918(16) 0.2305(5) 0.87093(18) 0.0413(7) Uani 1 1 d . . . . .
C3 C 0.38492(17) 0.4062(4) 0.85576(17) 0.0353(7) Uani 1 1 d . . . . .
H19 H 0.3371 0.4007 0.8083 0.042 Uiso 1 1 calc R U . . .
H18 H 0.3721 0.4430 0.9026 0.042 Uiso 1 1 calc R U . . .
C4 C 0.44249(14) 0.5345(4) 0.76777(15) 0.0241(5) Uani 1 1 d . . . . .
C5 C 0.49528(13) 0.6538(3) 0.75968(14) 0.0230(5) Uani 1 1 d . . . . .
H3 H 0.5235 0.7266 0.8038 0.028 Uiso 1 1 calc R U . . .
C6 C 0.50670(13) 0.6666(3) 0.68761(14) 0.0196(5) Uani 1 1 d . . . . .
H4 H 0.5426 0.7482 0.6819 0.024 Uiso 1 1 calc R U . . .
C7 C 0.46537(13) 0.5594(3) 0.62387(13) 0.0173(5) Uani 1 1 d . . . . .
C8 C 0.61731(12) 0.1472(3) 0.72243(13) 0.0185(5) Uani 1 1 d . . . . .
C9 C 0.58092(13) 0.1761(3) 0.77627(14) 0.0232(5) Uani 1 1 d . . . . .
H12 H 0.5289 0.1460 0.7624 0.028 Uiso 1 1 calc R U . . .
C10 C 0.62149(14) 0.2494(4) 0.85069(15) 0.0275(6) Uani 1 1 d . . . . .
H17 H 0.5972 0.2694 0.8882 0.033 Uiso 1 1 calc R U . . .
C11 C 0.69723(15) 0.2937(3) 0.87079(14) 0.0228(5) Uani 1 1 d . . . . .
C12 C 0.80545(16) 0.4430(4) 0.96475(16) 0.0323(6) Uani 1 1 d . . . . .
H15 H 0.8134 0.5372 1.0055 0.039 Uiso 1 1 calc R U . . .
H16 H 0.8090 0.4978 0.9158 0.039 Uiso 1 1 calc R U . . .
C13 C 0.86563(16) 0.3102(4) 0.99559(15) 0.0304(6) Uani 1 1 d . . . . .
C14 C 0.91374(17) 0.2044(5) 1.02319(16) 0.0406(7) Uani 1 1 d . . . . .
H2 H 0.9526 0.1190 1.0455 0.049 Uiso 1 1 calc R U . . .
C15 C 0.66949(13) 0.0541(3) 0.49653(14) 0.0173(5) Uani 1 1 d . . . . .
C16 C 0.62500(13) -0.0197(3) 0.42358(14) 0.0195(5) Uani 1 1 d . . . . .
H5 H 0.5781 -0.0750 0.4174 0.023 Uiso 1 1 calc R U . . .
C17 C 0.65023(13) -0.0114(3) 0.35964(15) 0.0209(5) Uani 1 1 d . . . . .
H6 H 0.6202 -0.0605 0.3091 0.025 Uiso 1 1 calc R U . . .
C18 C 0.71914(13) 0.0683(3) 0.36929(14) 0.0199(5) Uani 1 1 d . . . . .
C19 C 0.80514(14) 0.1635(4) 0.30645(15) 0.0263(6) Uani 1 1 d . . . . .
H9 H 0.8482 0.0825 0.3329 0.032 Uiso 1 1 calc R U . . .
H8 H 0.8127 0.2724 0.3392 0.032 Uiso 1 1 calc R U . . .
C20 C 0.80208(14) 0.2071(3) 0.22548(15) 0.0258(6) Uani 1 1 d . . . . .
C21 C 0.80047(16) 0.2484(4) 0.16158(17) 0.0362(7) Uani 1 1 d . . . . .
H7 H 0.7992 0.2820 0.1098 0.043 Uiso 1 1 calc R U . . .
C22 C 0.76514(12) 0.1327(4) 0.44404(13) 0.0218(5) Uani 1 1 d . . . . .
H11 H 0.8138 0.1799 0.4516 0.026 Uiso 1 1 calc R U . . .
C23 C 0.73919(12) 0.1275(4) 0.50782(14) 0.0204(5) Uani 1 1 d . . . . .
H10 H 0.7695 0.1743 0.5588 0.024 Uiso 1 1 calc R U . . .
C24 C 0.73338(14) 0.2623(3) 0.81697(14) 0.0241(5) Uani 1 1 d . . . . .
H13 H 0.7856 0.2908 0.8311 0.029 Uiso 1 1 calc R U . . .
C25 C 0.69281(14) 0.1885(3) 0.74190(14) 0.0231(5) Uani 1 1 d . . . . .
H14 H 0.7171 0.1669 0.7045 0.028 Uiso 1 1 calc R U . . .
C26 C 0.40214(14) 0.4266(3) 0.70432(14) 0.0237(5) Uani 1 1 d . . . . .
H20 H 0.3670 0.3433 0.7103 0.028 Uiso 1 1 calc R U . . .
C27 C 0.41313(14) 0.4403(3) 0.63109(14) 0.0225(5) Uani 1 1 d . . . . .
H21 H 0.3848 0.3681 0.5868 0.027 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
P1 O2 1.5839(16) 2_656 ?
P1 O2 1.5839(16) . ?
P1 N1 1.587(2) . ?
P1 N1 1.587(2) 2_656 ?
P2 N2 1.5799(14) . ?
P2 O3 1.5825(16) . ?
P2 N1 1.584(2) . ?
P2 O5 1.5943(16) . ?
O1 C4 1.382(3) . ?
O1 C3 1.438(3) . ?
O2 C7 1.407(3) . ?
O3 C8 1.410(3) . ?
O4 C11 1.382(3) . ?
O4 C12 1.429(3) . ?
O5 C15 1.412(3) . ?
O6 C18 1.375(3) . ?
O6 C19 1.429(3) . ?
N2 P2 1.5798(14) 2_656 ?
C1 C2 1.180(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.459(5) . ?
C3 H19 0.9900 . ?
C3 H18 0.9900 . ?
C4 C26 1.379(3) . ?
C4 C5 1.391(3) . ?
C5 C6 1.382(3) . ?
C5 H3 0.9500 . ?
C6 C7 1.384(3) . ?
C6 H4 0.9500 . ?
C7 C27 1.376(3) . ?
C8 C25 1.377(3) . ?
C8 C9 1.386(3) . ?
C9 C10 1.385(3) . ?
C9 H12 0.9500 . ?
C10 C11 1.385(4) . ?
C10 H17 0.9500 . ?
C11 C24 1.385(3) . ?
C12 C13 1.466(4) . ?
C12 H15 0.9900 . ?
C12 H16 0.9900 . ?
C13 C14 1.177(4) . ?
C14 H2 0.9500 . ?
C15 C23 1.375(3) . ?
C15 C16 1.385(3) . ?
C16 C17 1.387(3) . ?
C16 H5 0.9500 . ?
C17 C18 1.388(3) . ?
C17 H6 0.9500 . ?
C18 C22 1.389(3) . ?
C19 C20 1.462(3) . ?
C19 H9 0.9900 . ?
C19 H8 0.9900 . ?
C20 C21 1.171(4) . ?
C21 H7 0.9500 . ?
C22 C23 1.393(3) . ?
C22 H11 0.9500 . ?
C23 H10 0.9500 . ?
C24 C25 1.396(3) . ?
C24 H13 0.9500 . ?
C25 H14 0.9500 . ?
C26 C27 1.398(3) . ?
C26 H20 0.9500 . ?
C27 H21 0.9500 . ?

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
O2 P1 O2 94.00(12) 2_656 . ?
O2 P1 N1 111.14(9) 2_656 . ?
O2 P1 N1 110.74(9) . . ?
O2 P1 N1 110.74(9) 2_656 2_656 ?
O2 P1 N1 111.14(9) . 2_656 ?
N1 P1 N1 116.79(15) . 2_656 ?
N2 P2 O3 106.41(8) . . ?
N2 P2 N1 117.75(12) . . ?
O3 P2 N1 111.87(10) . . ?
N2 P2 O5 109.82(9) . . ?
O3 P2 O5 98.35(9) . . ?
N1 P2 O5 110.84(10) . . ?
C4 O1 C3 117.7(2) . . ?
C7 O2 P1 125.28(14) . . ?
C8 O3 P2 125.21(14) . . ?
C11 O4 C12 117.6(2) . . ?
C15 O5 P2 122.29(14) . . ?
C18 O6 C19 117.27(18) . . ?
P2 N1 P1 122.38(13) . . ?
P2 N2 P2 121.84(18) 2_656 . ?
C2 C1 H1 180.0 . . ?
C1 C2 C3 177.7(4) . . ?
O1 C3 C2 112.6(2) . . ?
O1 C3 H19 109.1 . . ?
C2 C3 H19 109.1 . . ?
O1 C3 H18 109.1 . . ?
C2 C3 H18 109.1 . . ?
H19 C3 H18 107.8 . . ?
C26 C4 O1 124.6(2) . . ?
C26 C4 C5 120.2(2) . . ?
O1 C4 C5 115.2(2) . . ?
C6 C5 C4 120.1(2) . . ?
C6 C5 H3 120.0 . . ?
C4 C5 H3 120.0 . . ?
C5 C6 C7 119.4(2) . . ?
C5 C6 H4 120.3 . . ?
C7 C6 H4 120.3 . . ?
C27 C7 C6 121.1(2) . . ?
C27 C7 O2 122.2(2) . . ?
C6 C7 O2 116.4(2) . . ?
C25 C8 C9 121.2(2) . . ?
C25 C8 O3 122.5(2) . . ?
C9 C8 O3 116.2(2) . . ?
C10 C9 C8 119.0(2) . . ?
C10 C9 H12 120.5 . . ?
C8 C9 H12 120.5 . . ?
C11 C10 C9 120.4(2) . . ?
C11 C10 H17 119.8 . . ?
C9 C10 H17 119.8 . . ?
O4 C11 C10 115.3(2) . . ?
O4 C11 C24 124.6(2) . . ?
C10 C11 C24 120.1(2) . . ?
O4 C12 C13 112.7(2) . . ?
O4 C12 H15 109.1 . . ?
C13 C12 H15 109.1 . . ?
O4 C12 H16 109.1 . . ?
C13 C12 H16 109.1 . . ?
H15 C12 H16 107.8 . . ?
C14 C13 C12 177.4(3) . . ?
C13 C14 H2 180.0 . . ?
C23 C15 C16 121.6(2) . . ?
C23 C15 O5 117.4(2) . . ?
C16 C15 O5 120.9(2) . . ?
C15 C16 C17 118.8(2) . . ?
C15 C16 H5 120.6 . . ?
C17 C16 H5 120.6 . . ?
C16 C17 C18 120.3(2) . . ?
C16 C17 H6 119.9 . . ?
C18 C17 H6 119.9 . . ?
O6 C18 C17 114.9(2) . . ?
O6 C18 C22 124.8(2) . . ?
C17 C18 C22 120.3(2) . . ?
O6 C19 C20 108.5(2) . . ?
O6 C19 H9 110.0 . . ?
C20 C19 H9 110.0 . . ?
O6 C19 H8 110.0 . . ?
C20 C19 H8 110.0 . . ?
H9 C19 H8 108.4 . . ?
C21 C20 C19 177.5(3) . . ?
C20 C21 H7 180.0 . . ?
C18 C22 C23 119.4(2) . . ?
C18 C22 H11 120.3 . . ?
C23 C22 H11 120.3 . . ?
C15 C23 C22 119.6(2) . . ?
C15 C23 H10 120.2 . . ?
C22 C23 H10 120.2 . . ?
C11 C24 C25 119.7(2) . . ?
C11 C24 H13 120.1 . . ?
C25 C24 H13 120.1 . . ?
C8 C25 C24 119.5(2) . . ?
C8 C25 H14 120.3 . . ?
C24 C25 H14 120.3 . . ?
C4 C26 C27 119.8(2) . . ?
C4 C26 H20 120.1 . . ?
C27 C26 H20 120.1 . . ?
C7 C27 C26 119.3(2) . . ?
C7 C27 H21 120.3 . . ?
C26 C27 H21 120.3 . . ?

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
O2 P1 O2 C7 -160.5(2) 2_656 . . . ?
N1 P1 O2 C7 -46.1(2) . . . . ?
N1 P1 O2 C7 85.43(19) 2_656 . . . ?
N2 P2 O3 C8 -166.90(17) . . . . ?
N1 P2 O3 C8 -37.0(2) . . . . ?
O5 P2 O3 C8 79.50(18) . . . . ?
N2 P2 O5 C15 64.96(18) . . . . ?
O3 P2 O5 C15 175.84(17) . . . . ?
N1 P2 O5 C15 -66.86(19) . . . . ?
N2 P2 N1 P1 9.92(18) . . . . ?
O3 P2 N1 P1 -113.81(14) . . . . ?
O5 P2 N1 P1 137.52(13) . . . . ?
O2 P1 N1 P2 -133.46(13) 2_656 . . . ?
O2 P1 N1 P2 123.45(14) . . . . ?
N1 P1 N1 P2 -5.10(9) 2_656 . . . ?
O3 P2 N2 P2 121.66(7) . . . 2_656 ?
N1 P2 N2 P2 -4.76(9) . . . 2_656 ?
O5 P2 N2 P2 -132.85(7) . . . 2_656 ?
C4 O1 C3 C2 75.2(3) . . . . ?
C3 O1 C4 C26 5.9(4) . . . . ?
C3 O1 C4 C5 -175.0(2) . . . . ?
C26 C4 C5 C6 1.0(4) . . . . ?
O1 C4 C5 C6 -178.2(2) . . . . ?
C4 C5 C6 C7 -0.2(4) . . . . ?
C5 C6 C7 C27 0.0(3) . . . . ?
C5 C6 C7 O2 174.2(2) . . . . ?
P1 O2 C7 C27 -61.8(3) . . . . ?
P1 O2 C7 C6 124.1(2) . . . . ?
P2 O3 C8 C25 -49.7(3) . . . . ?
P2 O3 C8 C9 133.50(19) . . . . ?
C25 C8 C9 C10 0.6(4) . . . . ?
O3 C8 C9 C10 177.5(2) . . . . ?
C8 C9 C10 C11 0.2(4) . . . . ?
C12 O4 C11 C10 -170.6(2) . . . . ?
C12 O4 C11 C24 8.9(4) . . . . ?
C9 C10 C11 O4 178.5(2) . . . . ?
C9 C10 C11 C24 -1.1(4) . . . . ?
C11 O4 C12 C13 -84.8(3) . . . . ?
P2 O5 C15 C23 124.8(2) . . . . ?
P2 O5 C15 C16 -59.4(3) . . . . ?
C23 C15 C16 C17 -3.1(3) . . . . ?
O5 C15 C16 C17 -178.7(2) . . . . ?
C15 C16 C17 C18 0.5(3) . . . . ?
C19 O6 C18 C17 179.2(2) . . . . ?
C19 O6 C18 C22 0.9(3) . . . . ?
C16 C17 C18 O6 -175.2(2) . . . . ?
C16 C17 C18 C22 3.2(4) . . . . ?
C18 O6 C19 C20 -164.5(2) . . . . ?
O6 C18 C22 C23 173.9(2) . . . . ?
C17 C18 C22 C23 -4.3(4) . . . . ?
C16 C15 C23 C22 1.9(4) . . . . ?
O5 C15 C23 C22 177.6(2) . . . . ?
C18 C22 C23 C15 1.9(4) . . . . ?
O4 C11 C24 C25 -178.4(2) . . . . ?
C10 C11 C24 C25 1.1(4) . . . . ?
C9 C8 C25 C24 -0.6(4) . . . . ?
O3 C8 C25 C24 -177.3(2) . . . . ?
C11 C24 C25 C8 -0.3(4) . . . . ?
O1 C4 C26 C27 177.5(2) . . . . ?
C5 C4 C26 C27 -1.5(4) . . . . ?
C6 C7 C27 C26 -0.5(4) . . . . ?
O2 C7 C27 C26 -174.4(2) . . . . ?
C4 C26 C27 C7 1.2(4) . . . . ?

_refine_diff_density_max         0.213
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.041

_shelxl_version_number           2013-2

