4-(3,4-Dimethoxyphenyl)-2-oxo-<i>N</i>,3-bis(3,4,5-trimethoxyphenyl)-2,3-dihydro-1<i>H</i>-imidazoline-1-carboxamide
Na Xue; Yong-Zhou Hu; Acta Crystallographica Section E 62 (2006) o327–o328; doi:10.1107/S1600536805042005

data_2207814
_publ_section_title
4-(3,4-Dimethoxyphenyl)-2-oxo-<i>N</i>,3-bis(3,4,5-trimethoxyphenyl)-2,3-dihydro-1<i>H</i>-imidazoline-1-carboxamide
_journal_coeditor_code           JH6031
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o327
_journal_page_last               o328
_journal_paper_doi               10.1107/S1600536805042005
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C30 H33 N3 O10'
_chemical_formula_moiety         'C30 H33 N3 O10'
_chemical_formula_sum            'C30 H33 N3 O10'
_chemical_formula_weight         595.60
_chemical_name_systematic
;
4-(3,4-Dimethoxyphenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)-
2,3-dihydro-1H-imidazoline-1-carboxamide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.802(15)
_cell_angle_beta                 104.333(16)
_cell_angle_gamma                112.476(14)
_cell_formula_units_Z            2
_cell_length_a                   9.429(4)
_cell_length_b                   11.209(4)
_cell_length_c                   15.890(7)
_cell_measurement_reflns_used    11137
_cell_measurement_temperature    296.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1479.0(11)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC & Rigaku, 2004)'
_computing_molecular_graphics    'Please provide missing information'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Watkin <i>et al.</i>,  1996)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14714
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.101
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.961
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             628.00
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.54
_refine_ls_extinction_coef       39E1(3)
_refine_ls_extinction_method     'Larson (1970), equation 22'
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     440
_refine_ls_number_reflns         6711
_refine_ls_R_factor_gt           0.0571
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0002Fo^2^ + 3\s(Fo^2^) + 0.5]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1305
_reflns_number_gt                4056
_reflns_number_total             6711
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            jh6031.cif
_cod_data_source_block           I
_cod_original_cell_volume        1479.1(10)
_cod_database_code               2207814