Triazonine-based bistable photoswitches: synthesis, characterization and photochromic properties.
Goual, Nawel; Casimiro, Lorenzo; Delattre, Vincent; Retailleau, Pascal; Maisonneuve, Stéphane; Bogliotti, Nicolas; Métivier, Rémi; Xie, Juan; Marinetti, Angela; Voituriez, Arnaud; Chemical communications (Cambridge, England) 57 (2021) 10079–10082; doi:10.1039/d1cc02746h

data_7128750
_publ_section_title
;
 Triazonine-based bistable photoswitches: synthesis, characterization and
 photochromic properties.
;
_journal_issue                   78
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10079
_journal_page_last               10082
_journal_paper_doi               10.1039/d1cc02746h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C19 H21 N3 O2'
_chemical_formula_sum            'C19 H21 N3 O2'
_chemical_formula_weight         323.39
_chemical_name_systematic
;
tert-butyl(E)-11,13-dihydro-12H-dibenzo[c,h][1,2,6]triazonine-12-carboxylate
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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;
2021-03-05 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;
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'Rigaku Integrated Confocal MaxFlux double bounce multi-layer mirror optics'
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       -12
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_diffrn_source                   'microfocus sealed X-ray tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_description       chunk
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.30
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     441
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0530
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1028P)^2^+0.0795P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1384
_refine_ls_wR_factor_ref         0.1444
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3293
_reflns_number_total             3825
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc02746h2.cif
_cod_data_source_block           compound_E-2a
_cod_depositor_comments
'Adding full bibliography for 7128749--7128753.cif.'
_cod_original_cell_volume        1753.08(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7128750
_shelx_res_checksum              61847
_shelx_hkl_checksum              34775