Nitration of benzothioxanthene: towards a new class of dyes with versatile photophysical properties
Andrés Castán, José María; Abad Galán, Laura; Li, Shi; Dalinot, Clément; Simón Marqués, Pablo; Allain, Magali; Risko, Chad; Monnereau, Cyrille; Maury, Olivier; Blanchard, Philippe; Cabanetos, Clément; New Journal of Chemistry 44 (2020) 900–905; doi:10.1039/C9NJ05804D

data_7059183
_publ_section_title
;
 Nitration of benzothioxanthene: towards a new class of dyes with
 versatile photophysical properties
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              900
_journal_page_last               905
_journal_paper_doi               10.1039/C9NJ05804D
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C35 H28 N2 O2 S'
_chemical_formula_sum            'C35 H28 N2 O2 S'
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_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
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_audit_creation_date             2019-11-19T12:24:12-00:00
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;
2019-11-20 deposited with the CCDC.	2019-12-09 downloaded from the CCDC.
;
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_computing_cell_refinement       'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
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'WinGX publication routines (Farrugia, V2018)'
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;
        CrysAlisPro 1.171.40.45a (Rigaku Oxford Diffraction, 2019)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0694P)^2^+4.9115P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1627
_reflns_Friedel_coverage         0
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj05804d2.cif
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_cod_depositor_comments
;Adding full bibliography for 7059183.cif.

 Adding full bibliography for 7059183.cif.
;
_cod_database_code               7059183
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              95708