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_7128749
_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         'C21 H19 N3 O2 S'
_chemical_formula_sum            'C21 H19 N3 O2 S'
_chemical_formula_weight         377.45
_chemical_name_systematic
(Z)-12-tosyl-12,13-dihydro-11H-dibenzo[c,h][1,2,6]triazonine
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;
2021-03-05 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;
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_computing_cell_refinement
;
CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)
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_computing_data_collection
;
CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)
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CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
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;
scan:
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	           Slice: 0.0000 - 360.0000
	     Image width: 0.5000
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	   Rotation axis: Phi
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	           Kappa: 0.0000
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	             XTD: 30.0000
	          2theta: 5.0000
scan:
	Number of images: 720
	           Slice: 0.0000 - 360.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Phi
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 0.0000
	             XTD: 30.0000
	          2theta: 5.0000
scan:
	Number of images: 720
	           Slice: 0.0000 - 360.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Phi
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 0.0000
	             XTD: 30.0000
	          2theta: 5.0000

;
_diffrn_measurement_device       'kappa gonio four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB PRO'
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_diffrn_radiation_monochromator
'Rigaku Integrated Confocal MaxFlux double bounce multi-layer mirror optics'
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_diffrn_reflns_point_group_measured_fraction_full 0.992
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_diffrn_source                   'microfocus sealed X-ray tube'
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_exptl_absorpt_correction_T_max  1.000
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_exptl_absorpt_process_details   'Reqab (Rigaku, 2009)'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
_exptl_crystal_F_000             792
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0758P)^2^+0.1960P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1180
_refine_ls_wR_factor_ref         0.1217
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7314
_reflns_number_total             8484
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc02746h2.cif
_cod_data_source_block           compound_Z-4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7128749--7128753.cif.
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_cod_database_code               7128749
_shelx_res_checksum              73900
_shelx_hkl_checksum              98782