7,7'-Bis[(aza-18-crown-6)carbonyl]thioindigo
Bien, J. T.; Shang, M.; Smith, B. D.; Acta Crystallographica Section C 52 (1996) 183–186; doi:10.1107/S0108270195012455

data_2004401
_publ_section_title
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 7,7'-Bis[(aza-18-crown-6)carbonyl]thioindigo
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              183
_journal_page_last               186
_journal_paper_doi               10.1107/S0108270195012455
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C42 H54 N2 O14 S2'
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_cell_length_c                   12.149(2)
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_cell_measurement_temperature    293
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_diffrn_measurement_device       'Enraf-Nonius CAD-4'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_max       11
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_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
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'empirical via \y scan (North, Phillips & Mathews, 1968)'
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_refine_ls_hydrogen_treatment
'noref but located from difference Fourier maps'
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_refine_ls_number_reflns         1994
_refine_ls_R_factor_obs          0.05085
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.06747
_reflns_number_observed          1994
_reflns_number_total             2955
_reflns_observed_criterion       I>3\s(I)
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_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1062.7(5)
_cod_database_code               2004401