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_2001912
_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            'C18 H13 N O2'
_chemical_formula_weight         275.31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.988(2)
_cell_length_b                   27.953(3)
_cell_length_c                   5.520(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      39.74
_cell_measurement_theta_min      36.14
_cell_volume                     1386.9(6)
_diffrn_measurement_device       'Rigaku AFC-5S'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1908
_diffrn_reflns_theta_max         27.55
_diffrn_standards_decay_%        'average -0.4'
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.1
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.14
_refine_ls_extinction_coef       0.29608E-5
_refine_ls_extinction_method     analytical
_refine_ls_goodness_of_fit_obs   1.47
_refine_ls_number_parameters     243
_refine_ls_number_reflns         1140
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.10
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s^2^(F~o~)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.046
_reflns_number_observed          1140
_reflns_number_total             1908
_reflns_observed_criterion       I>3.00\s(I)
_cod_data_source_file            al1023.cif
_cod_data_source_block           al1023_structure_1_of_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 4F~o~^2^/[\s^2^(F~o~)]' 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~)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1386.8(5)
_cod_original_formula_sum        'C18 H13 N1 O2'
_cod_database_code               2001912