High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation
Krishnan, Ashokkumar; Kamaraj, Sriraghavan; New Journal of Chemistry 48 (2024) 10045–10052; doi:10.1039/D4NJ00993B

data_7063216
_publ_section_title
;
 High-yielding regioselective synthesis of p-quinone fused
 5-substituted-1,4-benzodiazepine scaffolds via Pictet--Spengler type
 cycloannulation
;
_journal_issue                   22
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10045
_journal_page_last               10052
_journal_paper_doi               10.1039/D4NJ00993B
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C24 H24 N2 O4'
_chemical_formula_sum            'C24 H24 N2 O4'
_chemical_formula_weight         404.45
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-08-12 deposited with the CCDC.	2024-05-10 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_max 0.995
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'Bruker D8 QUEST diffractometer with PHOTON II detector'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_theta_min         2.124
_diffrn_source                   'i-mu-s microfocus source'
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_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6543
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            black
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_refine_diff_density_min         -0.179
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1108
_refine_ls_R_factor_gt           0.0536
_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^)+(0.0559P)^2^+0.6873P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1522
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2843
_reflns_number_total             5042
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4nj00993b2.cif
_cod_data_source_block           KSA_12_200723_0m_a
_cod_depositor_comments
'Adding full bibliography for 7063215--7063217.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7063216
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