# 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
'Eskandar Kolvari'
'Ardeshir Khazaei'
'Mohammad Ali Zolfigol'
'Nadiya Loukabi'
'Behzad Shirmardi-Shahghasemi'
'Hamid Reza Khavasi'
_publ_contact_author_email       zolfi@basu.ac.ir
_publ_contact_author_name        'Mohammad Ali Zolfigol'

data_d:\determination\solution\khd1\khd1
_database_code_depnum_ccdc_archive 'CCDC 823102'
#TrackingRef 'web_deposit_cif_file_0_HamidRezaKHavasi_1303709238.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H22 N2 O4'
_chemical_formula_sum            'C20 H22 N2 O4'
_chemical_formula_weight         354.40

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/n

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

_cell_length_a                   10.4776(11)
_cell_length_b                   9.5142(8)
_cell_length_c                   19.179(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.553(9)
_cell_angle_gamma                90.00
_cell_volume                     1911.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    14753
_cell_measurement_theta_min      2.12
_cell_measurement_theta_max      29.18

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.232
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             752
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_type   None
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(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  'STOE IPDS II'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean '0.15 mm'
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14753
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         29.18
_reflns_number_total             5140
_reflns_number_gt                2312
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-Area 1.31 (Stoe & Cie GmbH, 2005)'
_computing_cell_refinement       'X-Area 1.31 (Stoe & Cie GmbH, 2005)'
_computing_data_reduction        'X-Area 1.31 (Stoe & Cie GmbH, 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_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^)+(0.1181P)^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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5140
_refine_ls_number_parameters     236
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1403
_refine_ls_R_factor_gt           0.0646
_refine_ls_wR_factor_ref         0.2117
_refine_ls_wR_factor_gt          0.1811
_refine_ls_goodness_of_fit_ref   0.911
_refine_ls_restrained_S_all      0.911
_refine_ls_shift/su_max          0.046
_refine_ls_shift/su_mean         0.007

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 0.3502(2) 0.3758(3) 0.16047(13) 0.0555(6) Uani 1 1 d . . .
H1 H 0.3387 0.3142 0.1232 0.067 Uiso 1 1 calc R . .
C2 C 0.4310(3) 0.3388(3) 0.21504(13) 0.0561(6) Uani 1 1 d . . .
H2 H 0.4724 0.2523 0.2150 0.067 Uiso 1 1 calc R . .
C3 C 0.4504(2) 0.4308(3) 0.26993(11) 0.0492(6) Uani 1 1 d . . .
C4 C 0.5360(3) 0.3945(3) 0.32717(13) 0.0595(7) Uani 1 1 d . . .
C5 C 0.3877(3) 0.5591(3) 0.26988(13) 0.0642(7) Uani 1 1 d . . .
H5 H 0.4003 0.6214 0.3068 0.077 Uiso 1 1 calc R . .
C6 C 0.3070(3) 0.5934(3) 0.21516(13) 0.0600(7) Uani 1 1 d . . .
H6 H 0.2656 0.6799 0.2152 0.072 Uiso 1 1 calc R . .
C7 C 0.2855(2) 0.5025(2) 0.15973(11) 0.0418(5) Uani 1 1 d . . .
C8 C 0.1923(2) 0.5392(2) 0.09992(12) 0.0455(5) Uani 1 1 d . . .
H8 H 0.1536 0.6306 0.1099 0.055 Uiso 1 1 calc R . .
C9 C 0.0865(2) 0.4290(2) 0.09582(11) 0.0430(5) Uani 1 1 d . . .
C10 C -0.0027(2) 0.4392(3) 0.15293(13) 0.0519(6) Uani 1 1 d . . .
C11 C -0.1641(3) 0.3259(3) 0.21876(16) 0.0770(9) Uani 1 1 d . . .
H11A H -0.2188 0.4081 0.2175 0.092 Uiso 1 1 calc R . .
H11B H -0.1151 0.3261 0.2624 0.092 Uiso 1 1 calc R . .
C12 C -0.2408(4) 0.1980(4) 0.2128(2) 0.1011(13) Uani 1 1 d . . .
H12A H -0.1855 0.1175 0.2132 0.121 Uiso 1 1 calc R . .
H12B H -0.2902 0.2000 0.1699 0.121 Uiso 1 1 calc R . .
H12C H -0.2970 0.1925 0.2514 0.121 Uiso 1 1 calc R . .
C13 C 0.0837(2) 0.3304(2) 0.04515(12) 0.0463(5) Uani 1 1 d . . .
C14 C -0.0084(3) 0.2114(3) 0.03475(13) 0.0598(7) Uani 1 1 d . . .
H14A H -0.0934 0.2480 0.0288 0.072 Uiso 1 1 calc R . .
H14B H -0.0044 0.1508 0.0748 0.072 Uiso 1 1 calc R . .
H14C H 0.0135 0.1591 -0.0060 0.072 Uiso 1 1 calc R . .
C15 C 0.2553(2) 0.4477(3) -0.01615(12) 0.0544(6) Uani 1 1 d . . .
C16 C 0.3278(3) 0.4360(4) -0.08251(14) 0.0780(9) Uani 1 1 d . . .
H16A H 0.2687 0.4313 -0.1216 0.094 Uiso 1 1 calc R . .
H16B H 0.3793 0.3525 -0.0811 0.094 Uiso 1 1 calc R . .
H16C H 0.3818 0.5168 -0.0872 0.094 Uiso 1 1 calc R . .
C17 C 0.2616(2) 0.5505(3) 0.03136(13) 0.0518(6) Uani 1 1 d . . .
C18 C 0.3374(3) 0.6770(3) 0.01919(17) 0.0703(8) Uani 1 1 d . . .
C19 C 0.3927(7) 0.9001(5) 0.0628(4) 0.176(3) Uani 1 1 d . . .
H19B H 0.4827 0.8761 0.0638 0.211 Uiso 1 1 calc R . .
H19A H 0.3727 0.9361 0.0165 0.211 Uiso 1 1 calc R . .
C20 C 0.3815(12) 0.9839(7) 0.0977(6) 0.398(11) Uani 1 1 d . . .
H20C H 0.4630 1.0267 0.1076 0.477 Uiso 1 1 calc R . .
H20B H 0.3468 0.9494 0.1403 0.477 Uiso 1 1 calc R . .
H20A H 0.3244 1.0523 0.0773 0.477 Uiso 1 1 calc R . .
N1 N 0.6063(3) 0.3671(3) 0.37147(13) 0.0794(7) Uani 1 1 d . . .
N2 N 0.1745(2) 0.3351(2) -0.00597(10) 0.0546(5) Uani 1 1 d . . .
H2B H 0.1811 0.2635 -0.0330 0.065 Uiso 1 1 calc R . .
O1 O -0.0060(2) 0.5369(2) 0.19278(12) 0.0863(7) Uani 1 1 d . . .
O2 O -0.07895(18) 0.32773(19) 0.16020(10) 0.0672(6) Uani 1 1 d . . .
O3 O 0.4059(3) 0.7030(3) -0.02868(14) 0.1087(9) Uani 1 1 d . . .
O4 O 0.3231(3) 0.7708(2) 0.06990(14) 0.1008(8) 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 0.0656(16) 0.0482(13) 0.0519(13) -0.0076(11) -0.0112(12) 0.0072(12)
C2 0.0639(16) 0.0472(13) 0.0566(14) 0.0000(11) -0.0078(12) 0.0066(12)
C3 0.0491(13) 0.0561(14) 0.0423(12) 0.0052(10) 0.0002(10) -0.0070(11)
C4 0.0684(17) 0.0645(16) 0.0453(13) 0.0074(12) -0.0021(13) -0.0070(13)
C5 0.0752(18) 0.0642(16) 0.0525(15) -0.0148(12) -0.0115(13) 0.0019(14)
C6 0.0667(17) 0.0504(14) 0.0622(15) -0.0116(11) -0.0079(13) 0.0097(12)
C7 0.0403(12) 0.0413(11) 0.0439(11) 0.0016(9) 0.0021(9) -0.0047(9)
C8 0.0463(13) 0.0392(11) 0.0508(12) 0.0027(9) -0.0027(10) -0.0006(9)
C9 0.0401(12) 0.0411(11) 0.0477(12) 0.0041(9) -0.0036(9) 0.0005(9)
C10 0.0478(14) 0.0470(13) 0.0608(14) -0.0018(11) 0.0031(11) -0.0016(11)
C11 0.078(2) 0.0778(19) 0.077(2) 0.0049(15) 0.0321(17) -0.0040(16)
C12 0.091(2) 0.078(2) 0.137(3) 0.013(2) 0.059(2) 0.0005(18)
C13 0.0455(13) 0.0467(12) 0.0464(12) 0.0040(10) -0.0058(10) -0.0009(10)
C14 0.0664(16) 0.0594(15) 0.0532(14) -0.0067(11) -0.0049(12) -0.0121(13)
C15 0.0485(14) 0.0682(15) 0.0462(12) 0.0120(12) -0.0028(10) -0.0011(12)
C16 0.0716(19) 0.110(2) 0.0530(15) 0.0091(16) 0.0105(14) -0.0050(17)
C17 0.0481(14) 0.0551(13) 0.0518(13) 0.0157(11) -0.0052(11) -0.0042(11)
C18 0.0669(18) 0.0706(18) 0.0727(19) 0.0208(16) -0.0111(15) -0.0167(15)
C19 0.234(7) 0.078(3) 0.218(6) -0.007(3) 0.047(5) -0.091(4)
C20 0.54(2) 0.118(5) 0.55(2) -0.149(9) 0.396(18) -0.170(9)
N1 0.0934(19) 0.0867(17) 0.0571(14) 0.0137(13) -0.0149(14) 0.0028(15)
N2 0.0603(13) 0.0585(12) 0.0450(11) -0.0065(9) 0.0036(9) -0.0019(10)
O1 0.0873(15) 0.0728(13) 0.1007(16) -0.0350(12) 0.0376(13) -0.0184(11)
O2 0.0713(12) 0.0583(10) 0.0736(12) -0.0076(9) 0.0283(10) -0.0107(9)
O3 0.1116(19) 0.1083(19) 0.1075(19) 0.0289(15) 0.0298(16) -0.0397(15)
O4 0.130(2) 0.0692(14) 0.1039(18) 0.0064(13) 0.0091(15) -0.0489(14)

_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 C2 1.374(3) . ?
C1 C7 1.383(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.380(3) . ?
C2 H2 0.9300 . ?
C3 C5 1.386(4) . ?
C3 C4 1.440(4) . ?
C4 N1 1.140(3) . ?
C5 C6 1.369(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.384(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.527(3) . ?
C8 C17 1.523(3) . ?
C8 C9 1.526(3) . ?
C8 H8 0.9800 . ?
C9 C13 1.351(3) . ?
C9 C10 1.462(3) . ?
C10 O1 1.205(3) . ?
C10 O2 1.337(3) . ?
C11 O2 1.453(3) . ?
C11 C12 1.461(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 N2 1.386(3) . ?
C13 C14 1.497(3) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C17 1.337(4) . ?
C15 N2 1.382(3) . ?
C15 C16 1.504(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.464(4) . ?
C18 O3 1.206(4) . ?
C18 O4 1.331(4) . ?
C19 C20 1.050(8) . ?
C19 O4 1.438(4) . ?
C19 H19B 0.9700 . ?
C19 H19A 0.9700 . ?
C20 H20C 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20A 0.9600 . ?
N2 H2B 0.8600 . ?

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
C2 C1 C7 121.5(2) . . ?
C2 C1 H1 119.2 . . ?
C7 C1 H1 119.2 . . ?
C1 C2 C3 119.6(2) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C2 C3 C5 119.9(2) . . ?
C2 C3 C4 120.4(2) . . ?
C5 C3 C4 119.8(2) . . ?
N1 C4 C3 178.2(3) . . ?
C6 C5 C3 119.6(2) . . ?
C6 C5 H5 120.2 . . ?
C3 C5 H5 120.2 . . ?
C5 C6 C7 121.6(2) . . ?
C5 C6 H6 119.2 . . ?
C7 C6 H6 119.2 . . ?
C1 C7 C6 117.9(2) . . ?
C1 C7 C8 120.7(2) . . ?
C6 C7 C8 121.4(2) . . ?
C17 C8 C9 111.50(19) . . ?
C17 C8 C7 110.76(18) . . ?
C9 C8 C7 109.29(17) . . ?
C17 C8 H8 108.4 . . ?
C9 C8 H8 108.4 . . ?
C7 C8 H8 108.4 . . ?
C13 C9 C10 125.6(2) . . ?
C13 C9 C8 121.1(2) . . ?
C10 C9 C8 113.21(19) . . ?
O1 C10 O2 121.2(2) . . ?
O1 C10 C9 123.8(2) . . ?
O2 C10 C9 114.9(2) . . ?
O2 C11 C12 107.3(3) . . ?
O2 C11 H11A 110.3 . . ?
C12 C11 H11A 110.3 . . ?
O2 C11 H11B 110.3 . . ?
C12 C11 H11B 110.3 . . ?
H11A C11 H11B 108.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C13 N2 119.0(2) . . ?
C9 C13 C14 128.5(2) . . ?
N2 C13 C14 112.5(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C15 N2 119.3(2) . . ?
C17 C15 C16 127.9(2) . . ?
N2 C15 C16 112.8(2) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 C18 120.7(2) . . ?
C15 C17 C8 121.4(2) . . ?
C18 C17 C8 118.0(2) . . ?
O3 C18 O4 120.0(3) . . ?
O3 C18 C17 128.8(3) . . ?
O4 C18 C17 111.2(3) . . ?
C20 C19 O4 121.6(7) . . ?
C20 C19 H19B 106.9 . . ?
O4 C19 H19B 106.9 . . ?
C20 C19 H19A 106.9 . . ?
O4 C19 H19A 106.9 . . ?
H19B C19 H19A 106.7 . . ?
C19 C20 H20C 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20C C20 H20B 109.5 . . ?
C19 C20 H20A 109.5 . . ?
H20C C20 H20A 109.5 . . ?
H20B C20 H20A 109.5 . . ?
C15 N2 C13 124.0(2) . . ?
C15 N2 H2B 118.0 . . ?
C13 N2 H2B 118.0 . . ?
C10 O2 C11 118.1(2) . . ?
C18 O4 C19 115.9(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
C7 C1 C2 C3 -1.2(4) . . . . ?
C1 C2 C3 C5 0.5(4) . . . . ?
C1 C2 C3 C4 -179.3(2) . . . . ?
C2 C3 C4 N1 85(10) . . . . ?
C5 C3 C4 N1 -95(10) . . . . ?
C2 C3 C5 C6 -0.1(4) . . . . ?
C4 C3 C5 C6 179.6(2) . . . . ?
C3 C5 C6 C7 0.5(4) . . . . ?
C2 C1 C7 C6 1.5(4) . . . . ?
C2 C1 C7 C8 -177.7(2) . . . . ?
C5 C6 C7 C1 -1.2(4) . . . . ?
C5 C6 C7 C8 178.1(2) . . . . ?
C1 C7 C8 C17 -63.7(3) . . . . ?
C6 C7 C8 C17 117.1(2) . . . . ?
C1 C7 C8 C9 59.5(3) . . . . ?
C6 C7 C8 C9 -119.7(2) . . . . ?
C17 C8 C9 C13 17.6(3) . . . . ?
C7 C8 C9 C13 -105.2(2) . . . . ?
C17 C8 C9 C10 -165.27(19) . . . . ?
C7 C8 C9 C10 71.9(2) . . . . ?
C13 C9 C10 O1 -171.6(3) . . . . ?
C8 C9 C10 O1 11.4(4) . . . . ?
C13 C9 C10 O2 11.1(3) . . . . ?
C8 C9 C10 O2 -165.9(2) . . . . ?
C10 C9 C13 N2 179.5(2) . . . . ?
C8 C9 C13 N2 -3.7(3) . . . . ?
C10 C9 C13 C14 0.3(4) . . . . ?
C8 C9 C13 C14 177.1(2) . . . . ?
N2 C15 C17 C18 -174.5(2) . . . . ?
C16 C15 C17 C18 5.8(4) . . . . ?
N2 C15 C17 C8 6.4(4) . . . . ?
C16 C15 C17 C8 -173.3(2) . . . . ?
C9 C8 C17 C15 -19.0(3) . . . . ?
C7 C8 C17 C15 102.9(3) . . . . ?
C9 C8 C17 C18 161.9(2) . . . . ?
C7 C8 C17 C18 -76.2(3) . . . . ?
C15 C17 C18 O3 -4.7(5) . . . . ?
C8 C17 C18 O3 174.5(3) . . . . ?
C15 C17 C18 O4 175.1(3) . . . . ?
C8 C17 C18 O4 -5.8(4) . . . . ?
C17 C15 N2 C13 10.4(3) . . . . ?
C16 C15 N2 C13 -169.9(2) . . . . ?
C9 C13 N2 C15 -11.7(3) . . . . ?
C14 C13 N2 C15 167.6(2) . . . . ?
O1 C10 O2 C11 -1.6(4) . . . . ?
C9 C10 O2 C11 175.8(2) . . . . ?
C12 C11 O2 C10 177.1(3) . . . . ?
O3 C18 O4 C19 0.3(6) . . . . ?
C17 C18 O4 C19 -179.4(4) . . . . ?
C20 C19 O4 C18 174.6(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        29.18
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.411
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.043