A 5,6-dihydroimidazo[2,1-<i>b</i>]thiazole derivative
Zukerman-Schpector, J.; Acta Crystallographica Section C 50 (1994) 2077–2079; doi:10.1107/S010827019400288X

data_2010310
_publ_section_title
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 A 5,6-dihydroimidazo[2,1-<i>b</i>]thiazole derivative
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_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2077
_journal_page_last               2079
_journal_paper_doi               10.1107/S010827019400288X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C16 H16 N4 O S'
_chemical_formula_weight         312.40
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90.
_cell_angle_beta                 108.610(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   21.217(2)
_cell_length_b                   11.5550(10)
_cell_length_c                   13.079(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    292
_cell_measurement_theta_max      21
_cell_measurement_theta_min      8
_cell_volume                     3038.8(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2566
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        +-0.5
_diffrn_standards_interval_time  30
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.210
_exptl_absorpt_correction_T_max  1.06
_exptl_absorpt_correction_T_min  0.95
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.58
_refine_ls_number_parameters     200
_refine_ls_number_reflns         1872
_refine_ls_R_factor_obs          0.037
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(|F~o~|+0.0003|F~o~|^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.041
_reflns_number_observed          1872
_reflns_number_total             2428
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            li1084.cif
_cod_data_source_block           li1084a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'1/[\s^2^(|F~o~|+0.0003|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 = 1/[\s^2^(|F~o~|+0.0003|F~o~|^2^)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        3039.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2010310