# 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              ?
loop_
_publ_author_name
'Chun-Jiang Wang'
'Tang-Lin Liu'
'Zhao-Lin He'
_publ_contact_author_email       cjwang@whu.edu.cn
_publ_contact_author_name        'Chun-Jiang Wang'

data_110315ltl_0m
_database_code_depnum_ccdc_archive 'CCDC 828929'
#TrackingRef '110315ltl_0m.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_absolute_configuration 7R,8R,9R.10R
_chemical_formula_sum            'C26 H22 Cl N O4'
_chemical_formula_weight         447.90

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'
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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   9.960(9)
_cell_length_b                   12.124(11)
_cell_length_c                   18.738(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2263(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             936
_exptl_absorpt_coefficient_mu    0.202
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9383
_exptl_absorpt_correction_T_max  0.9570
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12600
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0503
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.00
_diffrn_reflns_theta_max         25.99
_reflns_number_total             4436
_reflns_number_gt                2920
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'

_computing_cell_refinement       'Bruker SMART'

_computing_data_reduction        'Bruker SAINT'

_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

_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^)+(0.0292P)^2^+0.7270P] 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     SHELXL
_refine_ls_extinction_coef       0.0042(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.10(10)
_refine_ls_number_reflns         4436
_refine_ls_number_parameters     291
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0467
_refine_ls_wR_factor_ref         0.1037
_refine_ls_wR_factor_gt          0.0883
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      1.002
_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
C1 C 0.8377(4) 0.7480(3) 0.11318(19) 0.0651(9) Uani 1 1 d . . .
C2 C 0.8746(4) 0.8083(3) 0.1710(2) 0.0766(11) Uani 1 1 d . . .
H2 H 0.9602 0.8010 0.1903 0.092 Uiso 1 1 calc R . .
C3 C 0.7832(4) 0.8807(3) 0.20100(17) 0.0654(9) Uani 1 1 d . . .
H3 H 0.8081 0.9223 0.2405 0.078 Uiso 1 1 calc R . .
C4 C 0.6561(3) 0.8922(2) 0.17328(14) 0.0439(7) Uani 1 1 d . . .
C5 C 0.6208(3) 0.8285(2) 0.11502(15) 0.0487(8) Uani 1 1 d . . .
H5 H 0.5349 0.8343 0.0960 0.058 Uiso 1 1 calc R . .
C6 C 0.7124(4) 0.7563(2) 0.08479(16) 0.0584(9) Uani 1 1 d . . .
H6 H 0.6884 0.7138 0.0455 0.070 Uiso 1 1 calc R . .
C7 C 0.5618(3) 0.9762(2) 0.20546(13) 0.0439(7) Uani 1 1 d . . .
H7 H 0.6158 1.0390 0.2217 0.053 Uiso 1 1 calc R . .
C8 C 0.3266(3) 0.9840(2) 0.17673(15) 0.0480(7) Uani 1 1 d . . .
H8 H 0.2811 1.0456 0.2005 0.058 Uiso 1 1 calc R . .
C9 C 0.3517(3) 0.8915(2) 0.23019(14) 0.0416(7) Uani 1 1 d . . .
H9 H 0.3826 0.8279 0.2024 0.050 Uiso 1 1 calc R . .
C10 C 0.4752(3) 0.93565(19) 0.27012(13) 0.0412(7) Uani 1 1 d . . .
C11 C 0.2332(3) 0.8520(2) 0.27310(15) 0.0481(7) Uani 1 1 d . . .
C12 C 0.1446(4) 0.9204(3) 0.30834(18) 0.0654(9) Uani 1 1 d . . .
H12 H 0.1555 0.9965 0.3054 0.078 Uiso 1 1 calc R . .
C13 C 0.0399(4) 0.8776(3) 0.3479(2) 0.0800(11) Uani 1 1 d . . .
H13 H -0.0180 0.9250 0.3720 0.096 Uiso 1 1 calc R . .
C14 C 0.0207(4) 0.7661(4) 0.3520(2) 0.0916(13) Uani 1 1 d . . .
H14 H -0.0490 0.7377 0.3794 0.110 Uiso 1 1 calc R . .
C15 C 0.1037(4) 0.6970(3) 0.3160(2) 0.0915(13) Uani 1 1 d . . .
H15 H 0.0899 0.6212 0.3179 0.110 Uiso 1 1 calc R . .
C16 C 0.2086(3) 0.7396(3) 0.27649(19) 0.0681(9) Uani 1 1 d . . .
H16 H 0.2642 0.6916 0.2515 0.082 Uiso 1 1 calc R . .
C17 C 0.2468(4) 0.9482(3) 0.11254(16) 0.0577(8) Uani 1 1 d . . .
C18 C 0.0985(6) 1.0098(4) 0.0237(3) 0.169(3) Uani 1 1 d . . .
H18A H 0.1580 0.9991 -0.0160 0.253 Uiso 1 1 calc R . .
H18B H 0.0409 1.0717 0.0144 0.253 Uiso 1 1 calc R . .
H18C H 0.0449 0.9448 0.0304 0.253 Uiso 1 1 calc R . .
C19 C 0.5422(3) 0.8478(2) 0.31592(13) 0.0409(6) Uani 1 1 d . . .
C20 C 0.6169(3) 0.8874(2) 0.37897(14) 0.0453(7) Uani 1 1 d . . .
C21 C 0.6814(3) 0.8142(3) 0.42477(15) 0.0580(8) Uani 1 1 d . . .
H21 H 0.6721 0.7386 0.4179 0.070 Uiso 1 1 calc R . .
C22 C 0.7587(4) 0.8531(3) 0.48016(17) 0.0739(10) Uani 1 1 d . . .
H22 H 0.7987 0.8040 0.5119 0.089 Uiso 1 1 calc R . .
C23 C 0.7767(4) 0.9651(3) 0.48847(18) 0.0748(11) Uani 1 1 d . . .
H23 H 0.8334 0.9908 0.5242 0.090 Uiso 1 1 calc R . .
C24 C 0.7128(3) 1.0391(3) 0.44511(17) 0.0626(9) Uani 1 1 d . . .
H24 H 0.7242 1.1145 0.4518 0.075 Uiso 1 1 calc R . .
C25 C 0.6307(3) 0.9998(2) 0.39091(14) 0.0487(7) Uani 1 1 d . . .
C26 C 0.4449(3) 1.0342(2) 0.31822(14) 0.0494(7) Uani 1 1 d . . .
H26A H 0.4034 1.0921 0.2901 0.059 Uiso 1 1 calc R . .
H26B H 0.3817 1.0120 0.3549 0.059 Uiso 1 1 calc R . .
Cl1 Cl 0.95385(13) 0.66002(8) 0.07342(6) 0.1052(4) Uani 1 1 d . . .
N1 N 0.4618(3) 1.01781(17) 0.15503(12) 0.0503(6) Uani 1 1 d . . .
H1 H 0.4798 1.0566 0.1178 0.060 Uiso 1 1 calc R . .
O1 O 0.2462(3) 0.85963(19) 0.08638(13) 0.0901(9) Uani 1 1 d . . .
O2 O 0.1764(3) 1.0307(2) 0.08754(14) 0.1062(11) Uani 1 1 d . . .
O3 O 0.5644(2) 1.07617(14) 0.35126(10) 0.0552(5) Uani 1 1 d . . .
O4 O 0.5356(2) 0.75059(14) 0.30053(10) 0.0568(6) 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
C1 0.071(3) 0.060(2) 0.064(2) 0.0029(18) 0.023(2) 0.013(2)
C2 0.055(2) 0.101(3) 0.073(2) 0.007(2) 0.000(2) 0.019(2)
C3 0.057(2) 0.082(2) 0.057(2) -0.0092(17) -0.0041(18) 0.005(2)
C4 0.0501(19) 0.0402(14) 0.0414(16) 0.0017(13) 0.0045(14) -0.0043(14)
C5 0.057(2) 0.0400(15) 0.0494(16) -0.0023(13) 0.0042(15) -0.0027(14)
C6 0.079(3) 0.0410(16) 0.0556(19) -0.0034(15) 0.0182(19) -0.0043(18)
C7 0.0548(19) 0.0342(14) 0.0428(15) -0.0028(11) -0.0023(14) -0.0048(14)
C8 0.061(2) 0.0361(14) 0.0469(16) -0.0067(13) -0.0043(15) 0.0062(14)
C9 0.0462(18) 0.0346(14) 0.0439(15) -0.0040(12) -0.0033(14) 0.0029(13)
C10 0.0494(18) 0.0335(13) 0.0405(15) -0.0060(12) -0.0018(14) 0.0028(13)
C11 0.0453(19) 0.0475(17) 0.0515(17) -0.0021(14) -0.0057(15) 0.0022(15)
C12 0.064(2) 0.0578(19) 0.074(2) -0.0097(17) 0.010(2) -0.0003(18)
C13 0.064(3) 0.090(3) 0.086(3) -0.015(2) 0.018(2) 0.004(2)
C14 0.074(3) 0.093(3) 0.107(3) 0.019(3) 0.023(3) -0.009(3)
C15 0.071(3) 0.067(2) 0.136(4) 0.020(3) 0.023(3) 0.001(2)
C16 0.053(2) 0.0528(19) 0.098(3) 0.0088(19) 0.010(2) 0.0068(18)
C17 0.068(2) 0.0494(18) 0.0559(19) -0.0063(16) -0.0124(17) 0.0084(17)
C18 0.231(7) 0.136(4) 0.139(4) -0.058(4) -0.142(5) 0.089(5)
C19 0.0480(18) 0.0353(14) 0.0395(15) -0.0021(12) 0.0002(14) -0.0011(13)
C20 0.0446(18) 0.0533(17) 0.0379(15) -0.0037(13) 0.0007(14) -0.0029(14)
C21 0.061(2) 0.0638(19) 0.0488(18) -0.0032(15) -0.0097(17) 0.0003(17)
C22 0.075(3) 0.094(3) 0.053(2) -0.0015(19) -0.0177(19) 0.014(2)
C23 0.065(3) 0.097(3) 0.063(2) -0.029(2) -0.0110(19) -0.007(2)
C24 0.059(2) 0.071(2) 0.058(2) -0.0233(17) 0.0000(18) -0.0073(19)
C25 0.052(2) 0.0539(17) 0.0401(16) -0.0128(14) 0.0037(15) -0.0077(15)
C26 0.059(2) 0.0426(15) 0.0463(16) -0.0084(13) -0.0068(16) 0.0034(16)
Cl1 0.1021(9) 0.0949(7) 0.1185(9) -0.0001(6) 0.0454(8) 0.0360(7)
N1 0.0658(18) 0.0445(13) 0.0408(12) 0.0093(11) 0.0001(13) 0.0027(13)
O1 0.130(2) 0.0589(15) 0.0815(16) -0.0188(13) -0.0455(17) 0.0114(15)
O2 0.142(3) 0.0794(16) 0.0971(19) -0.0306(14) -0.0760(19) 0.0501(18)
O3 0.0716(15) 0.0402(10) 0.0539(12) -0.0123(9) -0.0096(12) -0.0056(11)
O4 0.0751(15) 0.0345(10) 0.0607(12) -0.0045(9) -0.0170(12) 0.0007(11)

_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
C1 C6 1.361(5) . ?
C1 C2 1.358(5) . ?
C1 Cl1 1.741(3) . ?
C2 C3 1.384(5) . ?
C3 C4 1.375(4) . ?
C4 C5 1.383(4) . ?
C4 C7 1.511(4) . ?
C5 C6 1.386(4) . ?
C7 N1 1.463(4) . ?
C7 C10 1.567(4) . ?
C8 N1 1.465(4) . ?
C8 C17 1.505(4) . ?
C8 C9 1.525(4) . ?
C9 C11 1.506(4) . ?
C9 C10 1.537(4) . ?
C10 C19 1.522(4) . ?
C10 C26 1.526(3) . ?
C11 C12 1.380(4) . ?
C11 C16 1.386(4) . ?
C12 C13 1.381(5) . ?
C13 C14 1.368(5) . ?
C14 C15 1.356(5) . ?
C15 C16 1.381(5) . ?
C17 O1 1.180(3) . ?
C17 O2 1.308(4) . ?
C18 O2 1.449(4) . ?
C19 O4 1.215(3) . ?
C19 C20 1.476(4) . ?
C20 C21 1.392(4) . ?
C20 C25 1.387(4) . ?
C21 C22 1.376(4) . ?
C22 C23 1.378(5) . ?
C23 C24 1.368(5) . ?
C24 C25 1.388(4) . ?
C25 O3 1.359(3) . ?
C26 O3 1.435(4) . ?

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
C6 C1 C2 121.4(3) . . ?
C6 C1 Cl1 119.2(3) . . ?
C2 C1 Cl1 119.4(3) . . ?
C1 C2 C3 119.1(4) . . ?
C4 C3 C2 121.1(3) . . ?
C3 C4 C5 118.4(3) . . ?
C3 C4 C7 119.3(3) . . ?
C5 C4 C7 122.2(3) . . ?
C4 C5 C6 120.5(3) . . ?
C1 C6 C5 119.4(3) . . ?
N1 C7 C4 113.5(2) . . ?
N1 C7 C10 103.4(2) . . ?
C4 C7 C10 116.0(2) . . ?
N1 C8 C17 110.1(2) . . ?
N1 C8 C9 103.7(2) . . ?
C17 C8 C9 113.5(2) . . ?
C11 C9 C8 117.2(2) . . ?
C11 C9 C10 118.6(2) . . ?
C8 C9 C10 101.2(2) . . ?
C19 C10 C26 107.5(2) . . ?
C19 C10 C9 112.4(2) . . ?
C26 C10 C9 113.7(2) . . ?
C19 C10 C7 114.5(2) . . ?
C26 C10 C7 108.7(2) . . ?
C9 C10 C7 100.0(2) . . ?
C12 C11 C16 117.1(3) . . ?
C12 C11 C9 124.4(3) . . ?
C16 C11 C9 118.4(3) . . ?
C11 C12 C13 120.9(3) . . ?
C14 C13 C12 120.5(4) . . ?
C15 C14 C13 119.8(4) . . ?
C14 C15 C16 119.8(4) . . ?
C15 C16 C11 121.8(3) . . ?
O1 C17 O2 122.9(3) . . ?
O1 C17 C8 126.7(3) . . ?
O2 C17 C8 110.4(3) . . ?
O4 C19 C20 122.2(2) . . ?
O4 C19 C10 121.4(2) . . ?
C20 C19 C10 116.4(2) . . ?
C21 C20 C25 118.8(3) . . ?
C21 C20 C19 121.2(3) . . ?
C25 C20 C19 119.9(3) . . ?
C22 C21 C20 120.3(3) . . ?
C21 C22 C23 119.7(3) . . ?
C24 C23 C22 121.2(3) . . ?
C23 C24 C25 118.9(3) . . ?
O3 C25 C24 116.9(3) . . ?
O3 C25 C20 122.2(2) . . ?
C24 C25 C20 120.9(3) . . ?
O3 C26 C10 111.6(2) . . ?
C7 N1 C8 110.5(2) . . ?
C17 O2 C18 116.7(3) . . ?
C25 O3 C26 113.4(2) . . ?

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 -0.9(5) . . . . ?
Cl1 C1 C2 C3 177.9(3) . . . . ?
C1 C2 C3 C4 0.2(5) . . . . ?
C2 C3 C4 C5 0.8(5) . . . . ?
C2 C3 C4 C7 -177.1(3) . . . . ?
C3 C4 C5 C6 -1.0(4) . . . . ?
C7 C4 C5 C6 176.8(2) . . . . ?
C2 C1 C6 C5 0.7(5) . . . . ?
Cl1 C1 C6 C5 -178.2(2) . . . . ?
C4 C5 C6 C1 0.3(4) . . . . ?
C3 C4 C7 N1 152.7(3) . . . . ?
C5 C4 C7 N1 -25.0(4) . . . . ?
C3 C4 C7 C10 -87.7(3) . . . . ?
C5 C4 C7 C10 94.6(3) . . . . ?
N1 C8 C9 C11 169.1(2) . . . . ?
C17 C8 C9 C11 -71.4(3) . . . . ?
N1 C8 C9 C10 38.6(3) . . . . ?
C17 C8 C9 C10 158.1(2) . . . . ?
C11 C9 C10 C19 63.5(3) . . . . ?
C8 C9 C10 C19 -166.9(2) . . . . ?
C11 C9 C10 C26 -59.0(3) . . . . ?
C8 C9 C10 C26 70.6(3) . . . . ?
C11 C9 C10 C7 -174.6(2) . . . . ?
C8 C9 C10 C7 -45.0(2) . . . . ?
N1 C7 C10 C19 155.9(2) . . . . ?
C4 C7 C10 C19 31.0(3) . . . . ?
N1 C7 C10 C26 -83.9(2) . . . . ?
C4 C7 C10 C26 151.2(2) . . . . ?
N1 C7 C10 C9 35.4(2) . . . . ?
C4 C7 C10 C9 -89.5(3) . . . . ?
C8 C9 C11 C12 -48.0(4) . . . . ?
C10 C9 C11 C12 73.9(4) . . . . ?
C8 C9 C11 C16 130.4(3) . . . . ?
C10 C9 C11 C16 -107.7(3) . . . . ?
C16 C11 C12 C13 3.0(5) . . . . ?
C9 C11 C12 C13 -178.6(3) . . . . ?
C11 C12 C13 C14 -1.1(6) . . . . ?
C12 C13 C14 C15 -1.1(7) . . . . ?
C13 C14 C15 C16 1.2(7) . . . . ?
C14 C15 C16 C11 0.8(6) . . . . ?
C12 C11 C16 C15 -2.9(5) . . . . ?
C9 C11 C16 C15 178.6(3) . . . . ?
N1 C8 C17 O1 85.3(4) . . . . ?
C9 C8 C17 O1 -30.5(5) . . . . ?
N1 C8 C17 O2 -93.9(3) . . . . ?
C9 C8 C17 O2 150.3(3) . . . . ?
C26 C10 C19 O4 154.0(3) . . . . ?
C9 C10 C19 O4 28.1(4) . . . . ?
C7 C10 C19 O4 -85.2(3) . . . . ?
C26 C10 C19 C20 -27.0(3) . . . . ?
C9 C10 C19 C20 -152.9(2) . . . . ?
C7 C10 C19 C20 93.9(3) . . . . ?
O4 C19 C20 C21 -1.3(4) . . . . ?
C10 C19 C20 C21 179.6(3) . . . . ?
O4 C19 C20 C25 174.7(3) . . . . ?
C10 C19 C20 C25 -4.4(4) . . . . ?
C25 C20 C21 C22 -0.9(5) . . . . ?
C19 C20 C21 C22 175.1(3) . . . . ?
C20 C21 C22 C23 -2.7(5) . . . . ?
C21 C22 C23 C24 3.8(6) . . . . ?
C22 C23 C24 C25 -1.4(5) . . . . ?
C23 C24 C25 O3 177.0(3) . . . . ?
C23 C24 C25 C20 -2.3(5) . . . . ?
C21 C20 C25 O3 -175.9(3) . . . . ?
C19 C20 C25 O3 8.0(4) . . . . ?
C21 C20 C25 C24 3.4(4) . . . . ?
C19 C20 C25 C24 -172.7(3) . . . . ?
C19 C10 C26 O3 58.0(3) . . . . ?
C9 C10 C26 O3 -176.8(2) . . . . ?
C7 C10 C26 O3 -66.4(3) . . . . ?
C4 C7 N1 C8 114.3(3) . . . . ?
C10 C7 N1 C8 -12.2(2) . . . . ?
C17 C8 N1 C7 -138.2(2) . . . . ?
C9 C8 N1 C7 -16.4(3) . . . . ?
O1 C17 O2 C18 -1.8(6) . . . . ?
C8 C17 O2 C18 177.5(4) . . . . ?
C24 C25 O3 C26 -155.8(3) . . . . ?
C20 C25 O3 C26 23.5(4) . . . . ?
C10 C26 O3 C25 -57.9(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.99
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.259
_refine_diff_density_min         -0.234
_refine_diff_density_rms         0.034