π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.
Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C; Organic & biomolecular chemistry 18 (2020) 1657–1670; doi:10.1039/c9ob02410g

data_7157331
_publ_section_title
;
 \p-Extended push-pull azo-pyrrole photoswitches: synthesis,
 solvatochromism and optical band gaps.
;
_journal_issue                   8
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1657
_journal_page_last               1670
_journal_paper_doi               10.1039/c9ob02410g
_journal_volume                  18
_journal_year                    2020
_chemical_formula_moiety         'C13 H14 I N3'
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_audit_update_record
;
2019-09-02 deposited with the CCDC.	2020-02-03 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_theta_min      2.71
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_diffrn_measurement_device_type
'Bruker D8 Venture \k geometry diffractometer 208039-1'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sheldrick, 2012)'
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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^)+(0.0356P)^2^+0.6411P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2364
_reflns_number_total             3070
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7157330--7157333.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7157331
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.489
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_shelx_res_checksum              83850