Chrotacumines A-D, chromone alkaloids from Dysoxylum acutangulum.
Ismail, Intan Safinar; Nagakura, Yuta; Hirasawa, Yusuke; Hosoya, Takahiro; Lazim, Mohd Izwan Mohd; Lajis, Nordin Hj; Shiro, Motoo; Morita, Hiroshi; Journal of natural products 72 (2009) 1879–1883; doi:10.1021/np9003849

data_1503706
_publ_section_title
;
 Chrotacumines A-D, chromone alkaloids from Dysoxylum acutangulum.
;
_journal_issue                   10
_journal_name_full               'Journal of natural products'
_journal_page_first              1879
_journal_page_last               1883
_journal_paper_doi               10.1021/np9003849
_journal_volume                  72
_journal_year                    2009
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C26 H29 N O9, 1.667(C H4 O) '
_chemical_formula_sum            'C27.667 H35.667 N O10.667'
_chemical_formula_weight         553.02
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            9
_cell_length_a                   19.2969(4)
_cell_length_b                   19.2969(4)
_cell_length_c                   19.1134(7)
_cell_measurement_reflns_used    16422
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      68.3
_cell_measurement_theta_min      4.6
_cell_volume                     6163.7(3)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku & RAC 2007)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976)'
_computing_publication_material  'CrystalStructure (Rigaku & RAC 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23670
_diffrn_reflns_theta_full        68.09
_diffrn_reflns_theta_max         68.09
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2646.45
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.71
_refine_diff_density_min         -0.58
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  2476 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.03(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     367
_refine_ls_number_reflns         4965
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0976P)^2^+8.5707P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1358
_reflns_number_gt                4897
_reflns_number_total             4965
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            np9003849_si_001.cif
_cod_data_source_block           '_DAB1004'
_cod_original_sg_symbol_H-M      'R 3:H'
_cod_original_formula_sum        'C27.667 H35.667 N O10.667 '
_cod_database_code               1503706