From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation in the modular synthesis of merocyanines
Zou, Jie; Pan, Yi; Zhang, Di; Zhang, Jie; Chen, Weilong; Sun, Hongyan; Lau, Kai-Chung; Luo, Jingdong; New Journal of Chemistry 48 (2024) 8578–8588; doi:10.1039/D4NJ00820K

data_7063138
_publ_section_title
;
 From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation
 in the modular synthesis of merocyanines
;
_journal_issue                   19
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              8578
_journal_page_last               8588
_journal_paper_doi               10.1039/D4NJ00820K
_journal_volume                  48
_journal_year                    2024
_chemical_formula_sum            'C49 H45 Cl F2 N4 O2'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2023-08-22 deposited with the CCDC.	2024-04-09 downloaded from the CCDC.
;
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            purple
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_refine_ls_number_reflns         9041
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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^)+(0.1053P)^2^+2.7769P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                7750
_reflns_number_total             9041
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4nj00820k3.cif
_cod_data_source_block           1_a_sq
_cod_depositor_comments
'Adding full bibliography for 7063135--7063138.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7063138
_shelx_shelxl_version_number     2016/6
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