# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_email       jpzou@suda.edu.cn
_publ_contact_author_name        'Zou, Jian-ping'
loop_
_publ_author_name
'Xiang-Qiang Pan'
'Lu Wang'
'Jian-Ping Zou'
'Wei Zhang'

data_shelxl
_database_code_depnum_ccdc_archive 'CCDC 816923'
#TrackingRef '4600_web_deposit_cif_file_0_ZouJian-ping_1299823072.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H23 O3 P, H2 O'
_chemical_formula_sum            'C24 H25 O4 P'
_chemical_formula_weight         408.41

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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.735(3)
_cell_length_b                   11.975(4)
_cell_length_c                   12.478(5)
_cell_angle_alpha                61.480(5)
_cell_angle_beta                 69.536(3)
_cell_angle_gamma                80.201(7)
_cell_volume                     1074.5(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    5069
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             432
_exptl_absorpt_coefficient_mu    0.155
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.860
_exptl_absorpt_correction_T_max  0.9847
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9895
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0735
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.15
_diffrn_reflns_theta_max         27.51
_reflns_number_total             4850
_reflns_number_gt                3064
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  'CrystalStructure 3.7.0'

_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^)+(0.0325P)^2^+0.0000P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4850
_refine_ls_number_parameters     270
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0465
_refine_ls_wR_factor_ref         0.0959
_refine_ls_wR_factor_gt          0.0866
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_restrained_S_all      0.986
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.33678(6) 0.17065(4) 0.71457(5) 0.03342(14) Uani 1 1 d . . .
O1 O 0.21452(15) 0.08498(11) 0.83512(12) 0.0442(3) Uani 1 1 d . . .
O2 O 0.57274(16) 0.44307(13) 0.67307(15) 0.0514(4) Uani 1 1 d . . .
O3 O 0.49720(17) 0.31475(14) 0.88522(14) 0.0556(4) Uani 1 1 d . . .
O4 O 0.0497(2) 0.85001(14) 0.98963(15) 0.0539(4) Uani 1 1 d D . .
C1 C 0.2894(2) 0.33667(16) 0.67739(17) 0.0312(4) Uani 1 1 d . . .
H1 H 0.3694 0.3912 0.5953 0.037 Uiso 1 1 calc R . .
C2 C 0.1171(2) 0.36456(17) 0.66289(19) 0.0381(5) Uani 1 1 d . . .
H2A H 0.1116 0.3403 0.5996 0.046 Uiso 1 1 calc R . .
H2B H 0.0365 0.3142 0.7451 0.046 Uiso 1 1 calc R . .
C3 C 0.0774(2) 0.50512(18) 0.61988(19) 0.0436(5) Uani 1 1 d . . .
H3A H 0.1486 0.5543 0.5324 0.052 Uiso 1 1 calc R . .
H3B H -0.0359 0.5203 0.6186 0.052 Uiso 1 1 calc R . .
C4 C 0.1000(2) 0.55006(17) 0.70764(18) 0.0393(5) Uani 1 1 d . . .
C5 C 0.0158(3) 0.65857(19) 0.7146(2) 0.0526(6) Uani 1 1 d . . .
H5 H -0.0533 0.7026 0.6639 0.063 Uiso 1 1 calc R . .
C6 C 0.0329(3) 0.7016(2) 0.7945(2) 0.0604(6) Uani 1 1 d . . .
H6 H -0.0241 0.7745 0.7977 0.072 Uiso 1 1 calc R . .
C7 C 0.1325(3) 0.6384(2) 0.8689(2) 0.0593(6) Uani 1 1 d . . .
H7 H 0.1445 0.6676 0.9233 0.071 Uiso 1 1 calc R . .
C8 C 0.2155(2) 0.5313(2) 0.8639(2) 0.0505(5) Uani 1 1 d . . .
H8 H 0.2829 0.4876 0.9162 0.061 Uiso 1 1 calc R . .
C9 C 0.2018(2) 0.48618(17) 0.78297(18) 0.0367(4) Uani 1 1 d . . .
C10 C 0.2953(2) 0.36514(16) 0.78417(17) 0.0316(4) Uani 1 1 d . . .
H10 H 0.2466 0.2924 0.8681 0.038 Uiso 1 1 calc R . .
C11 C 0.4711(2) 0.38000(18) 0.7713(2) 0.0392(5) Uani 1 1 d . . .
C12 C 0.6615(3) 0.3229(3) 0.8853(3) 0.0905(10) Uani 1 1 d . . .
H12A H 0.7394 0.2901 0.8295 0.136 Uiso 1 1 calc R . .
H12B H 0.6679 0.2732 0.9718 0.136 Uiso 1 1 calc R . .
H12C H 0.6868 0.4110 0.8545 0.136 Uiso 1 1 calc R . .
C13 C 0.5405(2) 0.13303(16) 0.72793(17) 0.0316(4) Uani 1 1 d . . .
C14 C 0.5571(2) 0.03242(18) 0.84092(18) 0.0413(5) Uani 1 1 d . . .
H14 H 0.4642 -0.0119 0.9074 0.050 Uiso 1 1 calc R . .
C15 C 0.7117(3) -0.0029(2) 0.8557(2) 0.0507(6) Uani 1 1 d . . .
H15 H 0.7229 -0.0706 0.9326 0.061 Uiso 1 1 calc R . .
C16 C 0.8474(3) 0.0607(2) 0.7583(2) 0.0501(6) Uani 1 1 d . . .
H16 H 0.9514 0.0371 0.7689 0.060 Uiso 1 1 calc R . .
C17 C 0.8319(2) 0.15871(19) 0.6453(2) 0.0444(5) Uani 1 1 d . . .
H17 H 0.9255 0.2013 0.5784 0.053 Uiso 1 1 calc R . .
C18 C 0.6786(2) 0.19517(18) 0.62962(19) 0.0384(4) Uani 1 1 d . . .
H18 H 0.6686 0.2622 0.5520 0.046 Uiso 1 1 calc R . .
C19 C 0.3399(2) 0.15383(18) 0.5784(2) 0.0373(5) Uani 1 1 d . . .
C20 C 0.4002(3) 0.2457(2) 0.4536(2) 0.0508(6) Uani 1 1 d . . .
H20 H 0.4427 0.3217 0.4363 0.061 Uiso 1 1 calc R . .
C21 C 0.3980(3) 0.2254(2) 0.3527(2) 0.0662(7) Uani 1 1 d . . .
H21 H 0.4404 0.2869 0.2673 0.079 Uiso 1 1 calc R . .
C22 C 0.3323(3) 0.1135(3) 0.3802(3) 0.0699(8) Uani 1 1 d . . .
H22 H 0.3279 0.1004 0.3128 0.084 Uiso 1 1 calc R . .
C23 C 0.2747(3) 0.0231(3) 0.5025(3) 0.0673(7) Uani 1 1 d . . .
H23 H 0.2324 -0.0528 0.5193 0.081 Uiso 1 1 calc R . .
C24 C 0.2776(2) 0.0413(2) 0.6023(2) 0.0496(5) Uani 1 1 d . . .
H24 H 0.2375 -0.0221 0.6871 0.060 Uiso 1 1 calc R . .
H4A H -0.020(3) 0.871(2) 1.043(2) 0.060 Uiso 1 1 d D . .
H4B H 0.109(3) 0.9182(19) 0.943(2) 0.060 Uiso 1 1 d 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 0.0312(3) 0.0291(3) 0.0412(3) -0.0164(2) -0.0126(2) 0.0015(2)
O1 0.0362(8) 0.0344(7) 0.0490(9) -0.0137(7) -0.0040(7) -0.0047(6)
O2 0.0369(8) 0.0502(9) 0.0675(11) -0.0302(9) -0.0079(8) -0.0076(7)
O3 0.0487(9) 0.0690(10) 0.0680(11) -0.0372(9) -0.0356(8) 0.0115(7)
O4 0.0570(11) 0.0392(8) 0.0595(11) -0.0246(8) -0.0072(8) -0.0025(7)
C1 0.0307(10) 0.0280(9) 0.0351(11) -0.0137(9) -0.0123(8) 0.0017(7)
C2 0.0358(11) 0.0378(10) 0.0477(13) -0.0205(10) -0.0220(10) 0.0065(8)
C3 0.0438(12) 0.0398(11) 0.0508(13) -0.0211(11) -0.0246(10) 0.0146(9)
C4 0.0376(11) 0.0333(10) 0.0414(12) -0.0157(10) -0.0094(9) 0.0035(8)
C5 0.0532(14) 0.0394(12) 0.0587(15) -0.0213(12) -0.0186(12) 0.0150(10)
C6 0.0603(15) 0.0459(13) 0.0783(18) -0.0415(14) -0.0103(13) 0.0101(11)
C7 0.0567(15) 0.0636(15) 0.0755(18) -0.0510(15) -0.0157(13) 0.0075(12)
C8 0.0474(13) 0.0572(13) 0.0603(15) -0.0383(13) -0.0175(11) 0.0060(10)
C9 0.0340(10) 0.0356(10) 0.0403(12) -0.0196(10) -0.0081(9) 0.0003(8)
C10 0.0309(10) 0.0302(9) 0.0352(11) -0.0150(9) -0.0128(9) 0.0029(8)
C11 0.0400(12) 0.0376(11) 0.0534(14) -0.0290(11) -0.0203(11) 0.0062(9)
C12 0.0590(17) 0.134(3) 0.128(3) -0.082(2) -0.0629(18) 0.0244(17)
C13 0.0328(10) 0.0319(9) 0.0349(11) -0.0187(9) -0.0123(9) 0.0032(8)
C14 0.0404(12) 0.0436(12) 0.0368(12) -0.0185(10) -0.0111(10) 0.0066(9)
C15 0.0539(14) 0.0566(14) 0.0418(13) -0.0215(12) -0.0249(12) 0.0188(11)
C16 0.0399(13) 0.0650(15) 0.0596(16) -0.0377(13) -0.0258(12) 0.0177(11)
C17 0.0320(11) 0.0515(12) 0.0528(14) -0.0271(12) -0.0117(10) 0.0006(9)
C18 0.0386(11) 0.0364(10) 0.0430(12) -0.0181(10) -0.0165(10) 0.0018(9)
C19 0.0334(10) 0.0369(11) 0.0519(14) -0.0260(11) -0.0206(10) 0.0097(8)
C20 0.0663(15) 0.0452(12) 0.0560(15) -0.0288(12) -0.0320(13) 0.0103(11)
C21 0.0846(18) 0.0705(17) 0.0579(16) -0.0388(14) -0.0383(14) 0.0302(14)
C22 0.0754(18) 0.092(2) 0.097(2) -0.0781(19) -0.0561(17) 0.0403(16)
C23 0.0586(16) 0.0791(18) 0.107(2) -0.073(2) -0.0362(16) 0.0157(14)
C24 0.0376(12) 0.0494(12) 0.0779(16) -0.0434(13) -0.0176(11) 0.0064(9)

_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 1.4939(14) . ?
P1 C19 1.7951(19) . ?
P1 C13 1.8052(18) . ?
P1 C1 1.8201(18) . ?
O2 C11 1.202(2) . ?
O3 C11 1.338(2) . ?
O3 C12 1.455(2) . ?
O4 H4A 0.834(19) . ?
O4 H4B 0.87(2) . ?
C1 C2 1.540(2) . ?
C1 C10 1.544(2) . ?
C1 H1 0.9900 . ?
C2 C3 1.520(2) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 C4 1.509(2) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C4 C9 1.388(2) . ?
C4 C5 1.405(2) . ?
C5 C6 1.379(3) . ?
C5 H5 0.9400 . ?
C6 C7 1.365(3) . ?
C6 H6 0.9400 . ?
C7 C8 1.379(3) . ?
C7 H7 0.9400 . ?
C8 C9 1.398(2) . ?
C8 H8 0.9400 . ?
C9 C10 1.534(2) . ?
C10 C11 1.519(2) . ?
C10 H10 0.9900 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C13 C18 1.383(3) . ?
C13 C14 1.386(2) . ?
C14 C15 1.393(3) . ?
C14 H14 0.9400 . ?
C15 C16 1.371(3) . ?
C15 H15 0.9400 . ?
C16 C17 1.372(3) . ?
C16 H16 0.9400 . ?
C17 C18 1.388(2) . ?
C17 H17 0.9400 . ?
C18 H18 0.9400 . ?
C19 C20 1.379(3) . ?
C19 C24 1.397(3) . ?
C20 C21 1.397(3) . ?
C20 H20 0.9400 . ?
C21 C22 1.389(4) . ?
C21 H21 0.9400 . ?
C22 C23 1.351(3) . ?
C22 H22 0.9400 . ?
C23 C24 1.372(3) . ?
C23 H23 0.9400 . ?
C24 H24 0.9400 . ?

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 C19 112.14(9) . . ?
O1 P1 C13 110.57(8) . . ?
C19 P1 C13 106.36(8) . . ?
O1 P1 C1 110.99(8) . . ?
C19 P1 C1 106.48(8) . . ?
C13 P1 C1 110.13(8) . . ?
C11 O3 C12 115.72(19) . . ?
H4A O4 H4B 101(2) . . ?
C2 C1 C10 109.96(13) . . ?
C2 C1 P1 107.93(11) . . ?
C10 C1 P1 111.28(11) . . ?
C2 C1 H1 109.2 . . ?
C10 C1 H1 109.2 . . ?
P1 C1 H1 109.2 . . ?
C3 C2 C1 110.07(14) . . ?
C3 C2 H2A 109.6 . . ?
C1 C2 H2A 109.6 . . ?
C3 C2 H2B 109.6 . . ?
C1 C2 H2B 109.6 . . ?
H2A C2 H2B 108.2 . . ?
C4 C3 C2 111.67(15) . . ?
C4 C3 H3A 109.3 . . ?
C2 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
C2 C3 H3B 109.3 . . ?
H3A C3 H3B 107.9 . . ?
C9 C4 C5 118.70(17) . . ?
C9 C4 C3 121.55(15) . . ?
C5 C4 C3 119.75(16) . . ?
C6 C5 C4 121.19(19) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C7 C6 C5 120.03(18) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C8 119.64(19) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C7 C8 C9 121.59(19) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C4 C9 C8 118.84(17) . . ?
C4 C9 C10 122.39(15) . . ?
C8 C9 C10 118.73(16) . . ?
C11 C10 C9 107.84(13) . . ?
C11 C10 C1 110.39(14) . . ?
C9 C10 C1 113.29(14) . . ?
C11 C10 H10 108.4 . . ?
C9 C10 H10 108.4 . . ?
C1 C10 H10 108.4 . . ?
O2 C11 O3 124.26(18) . . ?
O2 C11 C10 125.07(18) . . ?
O3 C11 C10 110.66(18) . . ?
O3 C12 H12A 109.5 . . ?
O3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 119.39(17) . . ?
C18 C13 P1 123.28(14) . . ?
C14 C13 P1 117.25(15) . . ?
C13 C14 C15 119.87(19) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.20(19) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C18 120.2(2) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C13 C18 C17 120.15(18) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C24 119.42(18) . . ?
C20 C19 P1 123.23(14) . . ?
C24 C19 P1 117.35(17) . . ?
C19 C20 C21 119.7(2) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C22 C21 C20 119.3(2) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
C23 C22 C21 120.9(2) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 120.4(2) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 120.3(2) . . ?
C23 C24 H24 119.9 . . ?
C19 C24 H24 119.9 . . ?

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
O1 P1 C1 C2 -58.98(14) . . . . ?
C19 P1 C1 C2 63.32(14) . . . . ?
C13 P1 C1 C2 178.23(12) . . . . ?
O1 P1 C1 C10 61.75(14) . . . . ?
C19 P1 C1 C10 -175.94(12) . . . . ?
C13 P1 C1 C10 -61.03(14) . . . . ?
C10 C1 C2 C3 63.5(2) . . . . ?
P1 C1 C2 C3 -174.90(13) . . . . ?
C1 C2 C3 C4 -53.8(2) . . . . ?
C2 C3 C4 C9 23.1(3) . . . . ?
C2 C3 C4 C5 -156.56(18) . . . . ?
C9 C4 C5 C6 -0.1(3) . . . . ?
C3 C4 C5 C6 179.5(2) . . . . ?
C4 C5 C6 C7 -0.2(3) . . . . ?
C5 C6 C7 C8 -0.1(4) . . . . ?
C6 C7 C8 C9 0.8(3) . . . . ?
C5 C4 C9 C8 0.7(3) . . . . ?
C3 C4 C9 C8 -178.94(18) . . . . ?
C5 C4 C9 C10 178.50(18) . . . . ?
C3 C4 C9 C10 -1.1(3) . . . . ?
C7 C8 C9 C4 -1.0(3) . . . . ?
C7 C8 C9 C10 -178.93(19) . . . . ?
C4 C9 C10 C11 132.85(19) . . . . ?
C8 C9 C10 C11 -49.3(2) . . . . ?
C4 C9 C10 C1 10.4(2) . . . . ?
C8 C9 C10 C1 -171.81(17) . . . . ?
C2 C1 C10 C11 -161.62(15) . . . . ?
P1 C1 C10 C11 78.84(16) . . . . ?
C2 C1 C10 C9 -40.6(2) . . . . ?
P1 C1 C10 C9 -160.11(12) . . . . ?
C12 O3 C11 O2 -0.4(3) . . . . ?
C12 O3 C11 C10 -179.33(16) . . . . ?
C9 C10 C11 O2 -77.2(2) . . . . ?
C1 C10 C11 O2 47.0(2) . . . . ?
C9 C10 C11 O3 101.72(17) . . . . ?
C1 C10 C11 O3 -134.04(15) . . . . ?
O1 P1 C13 C18 178.48(13) . . . . ?
C19 P1 C13 C18 56.49(16) . . . . ?
C1 P1 C13 C18 -58.50(16) . . . . ?
O1 P1 C13 C14 1.73(15) . . . . ?
C19 P1 C13 C14 -120.26(14) . . . . ?
C1 P1 C13 C14 124.75(13) . . . . ?
C18 C13 C14 C15 1.7(2) . . . . ?
P1 C13 C14 C15 178.55(13) . . . . ?
C13 C14 C15 C16 -0.7(3) . . . . ?
C14 C15 C16 C17 -0.6(3) . . . . ?
C15 C16 C17 C18 0.9(3) . . . . ?
C14 C13 C18 C17 -1.4(2) . . . . ?
P1 C13 C18 C17 -178.11(12) . . . . ?
C16 C17 C18 C13 0.2(3) . . . . ?
O1 P1 C19 C20 158.91(15) . . . . ?
C13 P1 C19 C20 -80.11(17) . . . . ?
C1 P1 C19 C20 37.33(18) . . . . ?
O1 P1 C19 C24 -21.10(16) . . . . ?
C13 P1 C19 C24 99.88(15) . . . . ?
C1 P1 C19 C24 -142.68(14) . . . . ?
C24 C19 C20 C21 0.2(3) . . . . ?
P1 C19 C20 C21 -179.86(15) . . . . ?
C19 C20 C21 C22 1.0(3) . . . . ?
C20 C21 C22 C23 -1.7(3) . . . . ?
C21 C22 C23 C24 1.1(3) . . . . ?
C22 C23 C24 C19 0.1(3) . . . . ?
C20 C19 C24 C23 -0.8(3) . . . . ?
P1 C19 C24 C23 179.25(15) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O4 H4A O1 0.834(19) 2.035(19) 2.864(2) 172(2) 2_567
O4 H4B O1 0.87(2) 1.96(2) 2.822(2) 172(2) 1_565

_diffrn_measured_fraction_theta_max 0.977
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         0.186
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.054