Addendum: Crystal Structure of (dl)-Corynoloxine [X-ray Structure Analysis Online, Vol. 25, p. 1 (2009)]
KAMIGAUCHI, Miyoko; NODA, Yuko; IWASA, Kinuko; IN, Yasuko; ISHIDA, Toshimasa; X-ray Structure Analysis Online 25 (2009) 45–; doi:10.2116/xraystruct.25.45

data_1551811
_publ_section_title
;
 Addendum: Crystal Structure of (dl)-Corynoloxine [X-ray Structure
 Analysis Online, Vol. 25, p. 1 (2009)]
;
_journal_name_full               'X-ray Structure Analysis Online'
_journal_page_first              45
_journal_paper_doi               10.2116/xraystruct.25.45
_journal_volume                  25
_journal_year                    2009
_chemical_formula_sum            'C21 H19 N O5'
_chemical_formula_weight         365.37
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   20.375(3)
_cell_length_b                   41.499(3)
_cell_length_c                   8.139(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      67.62
_cell_measurement_theta_min      0.3
_cell_volume                     6882(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0649
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6094
_diffrn_reflns_theta_full        67.62
_diffrn_reflns_theta_max         67.62
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.835
_exptl_absorpt_correction_T_max  0.9594
_exptl_absorpt_correction_T_min  0.6341
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North, et al.,1968'
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3072
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.318
_refine_diff_density_min         -0.299
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       0.000139(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         6094
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.1548
_refine_ls_R_factor_gt           0.0695
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0405P)^2^+18.5907P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1712
_refine_ls_wR_factor_ref         0.2034
_reflns_number_gt                3378
_reflns_number_total             6094
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            25_45_1.cif
_cod_data_source_block           (dl)corynoloxine
_cod_original_cell_volume        6882(2)
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               1551811