Thieno[2,3-<i>c</i>]pyridine, the First Structure of a Thienopyridine
Nerenz, Heiko; Grahn, Walter; Jones, Peter G.; Acta Crystallographica Section C 53 (1997) 787–789; doi:10.1107/S0108270197002084

data_2006220
_publ_section_title
;
 Thieno[2,3-<i>c</i>]pyridine, the First Structure of a Thienopyridine
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              787
_journal_page_last               789
_journal_paper_doi               10.1107/S0108270197002084
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C7 H5 N S'
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_chemical_name_systematic
;
 Thieno[2,3-c]pyridine
;
_space_group_IT_number           61
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_cell_length_c                   14.5031(18)
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_cell_measurement_temperature    173(2)
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_computing_molecular_graphics    'XP (Siemens, 1994)'
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_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       \w-scans
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_exptl_absorpt_coefficient_mu    0.420
_exptl_absorpt_correction_type   none
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_exptl_crystal_density_meas      ?
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_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0457P)^2^+0.1230P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_obs         .0756
_reflns_number_observed          1158
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_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            fg1264.cif
_cod_data_source_block           fili
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (10 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (10
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (13 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0457P)^2^+0.1230P] where P=(Fo^2^+2Fc^2^)/3' 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^(Fo^2^)+(0.0457P)^2^+0.1230P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2006220