Sodium sulphide promoted synthesis of fused quinoline at room temperature.
Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar; Organic & biomolecular chemistry 19 (2021) 8108–8112; doi:10.1039/d1ob01085a

data_7158285
_publ_section_title
;
 Sodium sulphide promoted synthesis of fused quinoline at room
 temperature.
;
_journal_issue                   37
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8108
_journal_page_last               8112
_journal_paper_doi               10.1039/d1ob01085a
_journal_volume                  19
_journal_year                    2021
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_audit_update_record
;
2020-10-01 deposited with the CCDC.	2021-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                96.280(4)
_cell_angle_beta                 90.168(4)
_cell_angle_gamma                104.398(4)
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_cell_measurement_temperature    296(2)
_cell_volume                     742.77(8)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0435
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1271P)^2^+0.2895P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1578
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ob01085a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
Adding full bibliography for 7158285--7158286.cif.

2025-03-06
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C H Cl N O S'
_cod_original_formula_weight         110.54
_cod_original_formula_units_Z            8
_cod_database_code               7158285
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              1459
_shelx_hkl_checksum              7232