Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle
Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.; Acta Crystallographica Section B 76 (2020) –; doi:10.1107/S2052520620004102

data_2108610
_publ_section_title
;
 Synthesis and crystallographic, spectroscopic and computational
 characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i>
 substituents on the intra-ring torsion angle
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
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;
;
_journal_paper_doi               10.1107/S2052520620004102
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CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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'w=1/[\s^2^(Fo^2^)+(0.0543P)^2^+0.2499P] where P=(Fo^2^+2Fc^2^)/3'
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The following automatic conversions were performed:

data item '_atom_sites_solution_primary' value 'direct methods' was
changed to 'direct'.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
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