Tuberostemonine L-G
Ngoan Dao, C.; Luger, P.; Ky, P.T.; Kim, V.N.; Dung, N.X.; Acta Crystallographica Section C 50 (1994) 1612–1615; doi:10.1107/S010827019301251X

data_2010104
_publ_section_title
;
 Tuberostemonine L-G
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1612
_journal_page_last               1615
_journal_paper_doi               10.1107/S010827019301251X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C22 H33 N O4'
_chemical_formula_weight         375.6
_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                   6.4320(10)
_cell_length_b                   14.237(2)
_cell_length_c                   23.034(2)
_cell_measurement_reflns_used    48
_cell_measurement_temperature    291
_cell_measurement_theta_max      37.5
_cell_measurement_theta_min      35
_cell_volume                     2109.3(5)
_diffrn_measurement_device       Stoe
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54092
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2121
_diffrn_reflns_theta_max         64
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.61
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_description       Prismatic
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.2
_refine_diff_density_min         -0.2
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   5.11
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     376
_refine_ls_number_reflns         1956
_refine_ls_R_factor_obs          0.038
_refine_ls_shift/esd_max         0.19
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F~o~)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.032
_reflns_number_observed          2016
_reflns_number_total             2121
_reflns_observed_criterion       F~o~>2\s(F~o~)
_cod_data_source_file            ka1019.cif
_cod_data_source_block           ka1019_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/\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=1/\s^2^(F~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C22 H33 N1 O4'
_cod_database_code               2010104