Structures of furo[2,3-<i>b</i>]indolizine derivatives
Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.; Acta Crystallographica Section C 49 (1993) 604–607; doi:10.1107/S0108270192010205

data_2001913
_publ_section_title
;
 Structures of furo[2,3-<i>b</i>]indolizine derivatives
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              604
_journal_page_last               607
_journal_paper_doi               10.1107/S0108270192010205
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C20 H15 N O2'
_chemical_formula_weight         301.34
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 96.850(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.826(2)
_cell_length_b                   13.850(2)
_cell_length_c                   13.558(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      19.83
_cell_measurement_theta_min      19.11
_cell_volume                     1459.1(5)
_diffrn_measurement_device       'Rigaku AFC-5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3748
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        'average 0.6'
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.3
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.19
_refine_diff_density_min         -0.18
_refine_ls_extinction_coef       0.61406E-6
_refine_ls_extinction_method     analytical
_refine_ls_goodness_of_fit_obs   1.38
_refine_ls_number_parameters     269
_refine_ls_number_reflns         1685
_refine_ls_R_factor_obs          0.043
_refine_ls_shift/esd_max         0.03
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s^2^(F~o~^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.047
_reflns_number_observed          1685
_reflns_number_total             3501
_reflns_observed_criterion       I>3.00\s(I)
_cod_data_source_file            al1023.cif
_cod_data_source_block           al1023_structure_2_of_2
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 4F~o~^2^/[\s^2^(F~o~^2^)]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4F~o~^2^/[\s^2^(F~o~^2^)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C20 H15 N1 O2'
_cod_database_code               2001913