# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2010

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Rui Wang'
_publ_contact_author_email       WANGRUI@LZU.EDU.CN

_publ_section_title              
;
Enantioselective Construction of Allylic Phosphine
Oxides through Substitution of Morita-Baylis-Hillman Carbonates
with Phosphine Oxides

;
loop_
_publ_author_name
'Rui Wang.'
'Hong Liang.'

# Attachment 'P211.cif'

data_p21
_database_code_depnum_ccdc_archive 'CCDC 757171'
#TrackingRef 'P211.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H20 Cl O3 P'
_chemical_formula_weight         410.81

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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)

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

_cell_length_a                   5.7884(6)
_cell_length_b                   19.672(2)
_cell_length_c                   9.4173(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.446(6)
_cell_angle_gamma                90.00
_cell_volume                     1043.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1795
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      22.64

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.26
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             428
_exptl_absorpt_coefficient_mu    0.280
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9009
_exptl_absorpt_correction_T_max  0.9307
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6089
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         26.49
_reflns_number_total             4030
_reflns_number_gt                3264
_reflns_threshold_expression     >2sigma(I)

_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-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.1855P] where P=(Fo^2^+2Fc^2^)/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     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(8)
_refine_ls_number_reflns         4030
_refine_ls_number_parameters     254
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0439
_refine_ls_wR_factor_ref         0.1017
_refine_ls_wR_factor_gt          0.0908
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.11584(12) 0.39002(4) 0.29397(8) 0.03961(19) Uani 1 1 d . . .
C1 C 0.1850(6) 0.14734(16) 0.0772(4) 0.0517(8) Uani 1 1 d . . .
C2 C 0.0449(6) 0.15915(17) 0.1743(4) 0.0528(8) Uani 1 1 d . . .
H2 H -0.0782 0.1296 0.1799 0.063 Uiso 1 1 calc R . .
C3 C 0.0907(5) 0.21570(16) 0.2634(3) 0.0456(7) Uani 1 1 d . . .
H3 H -0.0029 0.2241 0.3294 0.055 Uiso 1 1 calc R . .
C4 C 0.2731(5) 0.26019(15) 0.2563(3) 0.0396(7) Uani 1 1 d . . .
C5 C 0.4078(6) 0.24702(17) 0.1558(4) 0.0517(8) Uani 1 1 d . . .
H5 H 0.5295 0.2766 0.1482 0.062 Uiso 1 1 calc R . .
C6 C 0.3637(6) 0.19047(19) 0.0666(4) 0.0584(9) Uani 1 1 d . . .
H6 H 0.4558 0.1819 -0.0003 0.070 Uiso 1 1 calc R . .
C7 C 0.3289(5) 0.32121(14) 0.3569(3) 0.0390(7) Uani 1 1 d . . .
H7 H 0.4851 0.3381 0.3496 0.047 Uiso 1 1 calc R . .
C8 C 0.3495(5) 0.30214(16) 0.5152(3) 0.0437(7) Uani 1 1 d . . .
C9 C 0.1940(6) 0.3161(2) 0.5935(4) 0.0633(10) Uani 1 1 d . . .
H9A H 0.2194 0.3007 0.6893 0.076 Uiso 1 1 calc R . .
H9B H 0.0588 0.3413 0.5529 0.076 Uiso 1 1 calc R . .
C10 C 0.5673(7) 0.26179(19) 0.5787(4) 0.0579(9) Uani 1 1 d . . .
C11 C 0.7908(10) 0.2100(4) 0.7928(6) 0.152(3) Uani 1 1 d . . .
H11A H 0.7483 0.1627 0.7876 0.228 Uiso 1 1 calc R . .
H11B H 0.8396 0.2235 0.8933 0.228 Uiso 1 1 calc R . .
H11C H 0.9190 0.2170 0.7456 0.228 Uiso 1 1 calc R . .
C12 C 0.1376(5) 0.40904(14) 0.1095(3) 0.0397(7) Uani 1 1 d . . .
C13 C -0.0549(5) 0.39331(19) -0.0031(3) 0.0544(8) Uani 1 1 d . . .
H13 H -0.1867 0.3716 0.0167 0.065 Uiso 1 1 calc R . .
C14 C -0.0510(7) 0.4099(2) -0.1452(4) 0.0671(11) Uani 1 1 d . . .
H14 H -0.1803 0.3990 -0.2208 0.081 Uiso 1 1 calc R . .
C15 C 0.1408(7) 0.4421(2) -0.1756(4) 0.0669(10) Uani 1 1 d . . .
H15 H 0.1405 0.4539 -0.2713 0.080 Uiso 1 1 calc R . .
C16 C 0.3325(7) 0.4571(2) -0.0658(4) 0.0678(10) Uani 1 1 d . . .
H16 H 0.4641 0.4784 -0.0868 0.081 Uiso 1 1 calc R . .
C17 C 0.3319(6) 0.44054(19) 0.0784(4) 0.0589(9) Uani 1 1 d . . .
H17 H 0.4629 0.4508 0.1533 0.071 Uiso 1 1 calc R . .
C18 C 0.2318(5) 0.46315(16) 0.4040(3) 0.0442(7) Uani 1 1 d . . .
C19 C 0.4652(6) 0.47099(18) 0.4804(4) 0.0569(9) Uani 1 1 d . . .
H19 H 0.5759 0.4373 0.4755 0.068 Uiso 1 1 calc R . .
C20 C 0.5350(7) 0.5282(2) 0.5633(4) 0.0665(10) Uani 1 1 d . . .
H20 H 0.6920 0.5324 0.6152 0.080 Uiso 1 1 calc R . .
C21 C 0.3781(7) 0.5787(2) 0.5707(4) 0.0681(10) Uani 1 1 d . . .
H21 H 0.4278 0.6172 0.6271 0.082 Uiso 1 1 calc R . .
C22 C 0.1453(7) 0.5729(2) 0.4945(4) 0.0691(10) Uani 1 1 d . . .
H22 H 0.0377 0.6076 0.4977 0.083 Uiso 1 1 calc R . .
C23 C 0.0721(6) 0.51474(17) 0.4128(4) 0.0539(8) Uani 1 1 d . . .
H23 H -0.0861 0.5103 0.3632 0.065 Uiso 1 1 calc R . .
Cl1 Cl 0.1314(2) 0.07564(5) -0.03476(12) 0.0834(3) Uani 1 1 d . . .
O1 O -0.1328(3) 0.37458(11) 0.2990(2) 0.0503(6) Uani 1 1 d . . .
O2 O 0.7066(4) 0.24307(14) 0.5149(3) 0.0680(7) Uani 1 1 d . . .
O3 O 0.5875(6) 0.2501(2) 0.7204(3) 0.1160(14) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
P1 0.0346(4) 0.0387(4) 0.0429(4) 0.0011(4) 0.0036(3) 0.0013(4)
C1 0.056(2) 0.0398(18) 0.0488(19) 0.0001(15) -0.0082(16) 0.0075(16)
C2 0.052(2) 0.047(2) 0.055(2) 0.0034(16) 0.0032(16) -0.0081(15)
C3 0.0448(17) 0.0429(18) 0.0500(19) 0.0041(14) 0.0131(14) -0.0044(14)
C4 0.0375(15) 0.0379(16) 0.0408(16) 0.0060(12) 0.0042(13) 0.0014(13)
C5 0.0478(18) 0.0487(19) 0.063(2) -0.0048(16) 0.0213(16) -0.0076(15)
C6 0.061(2) 0.066(2) 0.054(2) -0.0089(18) 0.0238(17) 0.0059(19)
C7 0.0353(15) 0.0399(17) 0.0411(16) 0.0008(13) 0.0078(12) 0.0009(12)
C8 0.0452(17) 0.0444(17) 0.0388(16) 0.0015(14) 0.0041(14) 0.0043(15)
C9 0.064(2) 0.079(3) 0.0453(19) 0.0083(18) 0.0114(17) 0.016(2)
C10 0.058(2) 0.065(2) 0.047(2) 0.0154(17) 0.0044(17) 0.0110(19)
C11 0.128(4) 0.237(8) 0.092(4) 0.096(5) 0.029(3) 0.106(5)
C12 0.0400(15) 0.0343(17) 0.0426(16) 0.0016(12) 0.0048(12) 0.0055(12)
C13 0.0535(17) 0.059(2) 0.0472(18) -0.0010(18) 0.0050(14) 0.0015(19)
C14 0.070(2) 0.081(3) 0.043(2) -0.0025(18) -0.0043(16) 0.001(2)
C15 0.078(3) 0.075(3) 0.049(2) 0.0082(18) 0.0174(19) 0.008(2)
C16 0.061(2) 0.086(3) 0.060(2) 0.012(2) 0.0220(19) 0.001(2)
C17 0.0480(19) 0.073(3) 0.053(2) 0.0116(18) 0.0063(15) -0.0003(18)
C18 0.0461(17) 0.0423(17) 0.0442(18) 0.0029(14) 0.0109(13) 0.0024(14)
C19 0.0464(19) 0.050(2) 0.070(2) -0.0080(18) 0.0050(16) 0.0024(16)
C20 0.064(2) 0.057(2) 0.070(3) -0.0146(19) -0.0001(19) -0.0095(19)
C21 0.084(3) 0.054(2) 0.065(2) -0.015(2) 0.016(2) -0.010(2)
C22 0.080(3) 0.050(2) 0.076(3) -0.010(2) 0.017(2) 0.016(2)
C23 0.054(2) 0.050(2) 0.055(2) 0.0003(16) 0.0081(16) 0.0049(16)
Cl1 0.1045(8) 0.0529(5) 0.0806(7) -0.0214(5) -0.0034(6) 0.0054(6)
O1 0.0388(11) 0.0549(15) 0.0567(13) 0.0035(10) 0.0102(9) -0.0001(10)
O2 0.0570(14) 0.0808(19) 0.0682(17) 0.0219(14) 0.0187(13) 0.0245(14)
O3 0.107(2) 0.184(4) 0.0593(18) 0.048(2) 0.0230(16) 0.078(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 1.483(2) . ?
P1 C18 1.808(3) . ?
P1 C12 1.810(3) . ?
P1 C7 1.834(3) . ?
C1 C6 1.359(5) . ?
C1 C2 1.375(5) . ?
C1 Cl1 1.745(3) . ?
C2 C3 1.381(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.384(4) . ?
C4 C7 1.517(4) . ?
C5 C6 1.381(5) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.515(4) . ?
C7 H7 0.9800 . ?
C8 C9 1.318(4) . ?
C8 C10 1.492(4) . ?
C9 H9A 0.9300 . ?
C9 H9B 0.9300 . ?
C10 O2 1.171(4) . ?
C10 O3 1.332(4) . ?
C11 O3 1.450(5) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C17 1.374(4) . ?
C12 C13 1.383(4) . ?
C13 C14 1.382(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.365(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.361(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.397(5) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.384(4) . ?
C18 C23 1.388(4) . ?
C19 C20 1.376(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.359(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.377(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.388(5) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?

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 C18 112.24(13) . . ?
O1 P1 C12 110.96(13) . . ?
C18 P1 C12 106.63(13) . . ?
O1 P1 C7 115.04(13) . . ?
C18 P1 C7 105.65(13) . . ?
C12 P1 C7 105.74(12) . . ?
C6 C1 C2 121.3(3) . . ?
C6 C1 Cl1 119.4(3) . . ?
C2 C1 Cl1 119.3(3) . . ?
C1 C2 C3 118.7(3) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C2 C3 C4 121.4(3) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 118.1(3) . . ?
C5 C4 C7 120.2(3) . . ?
C3 C4 C7 121.6(3) . . ?
C6 C5 C4 120.9(3) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C1 C6 C5 119.6(3) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C8 C7 C4 112.0(2) . . ?
C8 C7 P1 113.21(19) . . ?
C4 C7 P1 110.64(18) . . ?
C8 C7 H7 106.8 . . ?
C4 C7 H7 106.8 . . ?
P1 C7 H7 106.8 . . ?
C9 C8 C10 120.7(3) . . ?
C9 C8 C7 126.2(3) . . ?
C10 C8 C7 113.1(3) . . ?
C8 C9 H9A 120.0 . . ?
C8 C9 H9B 120.0 . . ?
H9A C9 H9B 120.0 . . ?
O2 C10 O3 123.3(3) . . ?
O2 C10 C8 125.4(3) . . ?
O3 C10 C8 111.2(3) . . ?
O3 C11 H11A 109.5 . . ?
O3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C17 C12 C13 119.4(3) . . ?
C17 C12 P1 122.7(2) . . ?
C13 C12 P1 117.8(2) . . ?
C12 C13 C14 119.9(3) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 120.6(3) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C16 C15 C14 120.0(4) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.1(4) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C12 C17 C16 120.0(3) . . ?
C12 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 C23 118.1(3) . . ?
C19 C18 P1 125.0(3) . . ?
C23 C18 P1 116.9(2) . . ?
C20 C19 C18 120.5(3) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C21 C20 C19 121.1(4) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C20 C21 C22 119.8(4) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C21 C22 C23 119.6(3) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C22 C23 C18 120.9(3) . . ?
C22 C23 H23 119.5 . . ?
C18 C23 H23 119.5 . . ?
C10 O3 C11 116.0(4) . . ?

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
C6 C1 C2 C3 -0.8(5) . . . . ?
Cl1 C1 C2 C3 179.3(2) . . . . ?
C1 C2 C3 C4 0.1(5) . . . . ?
C2 C3 C4 C5 0.8(4) . . . . ?
C2 C3 C4 C7 -178.2(3) . . . . ?
C3 C4 C5 C6 -1.0(5) . . . . ?
C7 C4 C5 C6 178.0(3) . . . . ?
C2 C1 C6 C5 0.6(5) . . . . ?
Cl1 C1 C6 C5 -179.5(3) . . . . ?
C4 C5 C6 C1 0.3(5) . . . . ?
C5 C4 C7 C8 -129.6(3) . . . . ?
C3 C4 C7 C8 49.4(4) . . . . ?
C5 C4 C7 P1 103.1(3) . . . . ?
C3 C4 C7 P1 -78.0(3) . . . . ?
O1 P1 C7 C8 -61.8(2) . . . . ?
C18 P1 C7 C8 62.6(2) . . . . ?
C12 P1 C7 C8 175.4(2) . . . . ?
O1 P1 C7 C4 65.0(2) . . . . ?
C18 P1 C7 C4 -170.7(2) . . . . ?
C12 P1 C7 C4 -57.9(2) . . . . ?
C4 C7 C8 C9 -107.0(4) . . . . ?
P1 C7 C8 C9 19.0(4) . . . . ?
C4 C7 C8 C10 70.8(3) . . . . ?
P1 C7 C8 C10 -163.2(2) . . . . ?
C9 C8 C10 O2 174.5(4) . . . . ?
C7 C8 C10 O2 -3.4(5) . . . . ?
C9 C8 C10 O3 -6.4(5) . . . . ?
C7 C8 C10 O3 175.7(3) . . . . ?
O1 P1 C12 C17 163.9(2) . . . . ?
C18 P1 C12 C17 41.4(3) . . . . ?
C7 P1 C12 C17 -70.7(3) . . . . ?
O1 P1 C12 C13 -13.5(3) . . . . ?
C18 P1 C12 C13 -136.0(3) . . . . ?
C7 P1 C12 C13 111.9(3) . . . . ?
C17 C12 C13 C14 -0.6(5) . . . . ?
P1 C12 C13 C14 176.9(3) . . . . ?
C12 C13 C14 C15 -0.4(5) . . . . ?
C13 C14 C15 C16 1.2(6) . . . . ?
C14 C15 C16 C17 -1.1(6) . . . . ?
C13 C12 C17 C16 0.7(5) . . . . ?
P1 C12 C17 C16 -176.6(3) . . . . ?
C15 C16 C17 C12 0.1(6) . . . . ?
O1 P1 C18 C19 145.8(3) . . . . ?
C12 P1 C18 C19 -92.5(3) . . . . ?
C7 P1 C18 C19 19.7(3) . . . . ?
O1 P1 C18 C23 -33.5(3) . . . . ?
C12 P1 C18 C23 88.2(3) . . . . ?
C7 P1 C18 C23 -159.7(2) . . . . ?
C23 C18 C19 C20 0.6(5) . . . . ?
P1 C18 C19 C20 -178.8(3) . . . . ?
C18 C19 C20 C21 -1.0(6) . . . . ?
C19 C20 C21 C22 0.1(6) . . . . ?
C20 C21 C22 C23 1.2(6) . . . . ?
C21 C22 C23 C18 -1.6(6) . . . . ?
C19 C18 C23 C22 0.7(5) . . . . ?
P1 C18 C23 C22 -179.9(3) . . . . ?
O2 C10 O3 C11 -2.2(7) . . . . ?
C8 C10 O3 C11 178.7(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.49
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.255
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.038