Diastereomeric octahydronaphthoquinolizines
Cai, B.; Pan, Y.; Qiu, H.; Dewan, J. C.; Wink, D. J.; Murphy, R. B.; Schuster, D. I.; Acta Crystallographica Section C 50 (1994) 609–613; doi:10.1107/S0108270193009242

data_2009603
_publ_section_title
;
 Diastereomeric octahydronaphthoquinolizines
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              609
_journal_page_last               613
_journal_paper_doi               10.1107/S0108270193009242
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C17 H24 Cl3 N'
_chemical_formula_weight         348.75
_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                 103.28(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.597(3)
_cell_length_b                   11.704(4)
_cell_length_c                   14.390(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      15.2
_cell_volume                     1737.0(11)
_diffrn_measurement_device       'Rigaku AFC-6R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2772
_diffrn_reflns_theta_max         60.0
_diffrn_standards_decay_%        9.0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.812
_exptl_absorpt_correction_T_max  1.26
_exptl_absorpt_correction_T_min  0.57
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.35
_refine_ls_goodness_of_fit_obs   2.26
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     190
_refine_ls_number_reflns         1177
_refine_ls_R_factor_obs          0.085
_refine_ls_shift/esd_max         0.001
_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         0.080
_reflns_number_observed          1177
_reflns_number_total             2621
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            cr1066.cif
_cod_data_source_block           cr1066_structure_1_of_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '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_cell_volume        1737
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C17 H24 Cl3 N1'
_cod_database_code               2009603