2H-bis-1,2,3-triazolo-isoquinoline. Design, synthesis and photophysical study.
Tsyrenova, Biligma; Khrustalev, Victor N.; Nenajdenko, Valentine Georgievich; The Journal of organic chemistry  (2020) –; doi:10.1021/acs.joc.0c00263

data_4038341
_publ_section_title
;
 2H-bis-1,2,3-triazolo-isoquinoline. Design, synthesis and photophysical
 study.
;
_journal_name_full               'The Journal of organic chemistry'
_journal_paper_doi               10.1021/acs.joc.0c00263
_journal_year                    2020
_chemical_formula_moiety         'C23 H16 N6 O'
_chemical_formula_sum            'C23 H16 N6 O'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.956
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_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-III CCD'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            yellow
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_exptl_crystal_description       prism
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6510
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1202
_refine_ls_R_factor_gt           0.0792
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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^)+(0.085P)^2^+0.9346P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.982
_shelx_estimated_absorpt_t_max   0.986
_shelx_res_checksum              1639
_shelx_hkl_checksum              68069