A solvent- and catalyst-free tandem reaction: synthesis, and photophysical and biological applications of isoindoloquinazolinones
Bera, Anirban; Ali, Sk Asraf; Manna, Susanta Kumar; Ikbal, Mohammed; Misra, Sandip; Saha, Amit; Samanta, Shubhankar; New Journal of Chemistry 44 (2020) 4324–4331; doi:10.1039/C9NJ05808G

data_7059336
_publ_section_title
;
 A solvent- and catalyst-free tandem reaction: synthesis, and
 photophysical and biological applications of isoindoloquinazolinones
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4324
_journal_page_last               4331
_journal_paper_doi               10.1039/C9NJ05808G
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C19 H16 N2 O3'
_chemical_formula_sum            'C19 H16 N2 O3'
_chemical_formula_weight         320.35
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_audit_update_record
;
2019-08-07 deposited with the CCDC.	2020-02-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.688(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9037(1)
_cell_length_b                   21.8489(3)
_cell_length_c                   7.8640(1)
_cell_volume                     1503.29(3)
_diffrn_measured_fraction_theta_full 0.999620
_diffrn_measured_fraction_theta_max 0.999620
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0206
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_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            16836
_diffrn_reflns_theta_full        66.136398
_diffrn_reflns_theta_max         66.14
_diffrn_reflns_theta_min         5.06
_exptl_absorpt_coefficient_mu    0.792
_exptl_crystal_density_diffrn    1.4153
_exptl_crystal_F_000             674.2357
_refine_diff_density_max         0.208561
_refine_diff_density_min         -0.235683
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_refine_ls_d_res_high            0.842986
_refine_ls_d_res_low             8.749236
_refine_ls_goodness_of_fit_ref   1.044298
_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044298
_refine_ls_R_factor_all          0.038872
_refine_ls_R_factor_gt           0.037151
_refine_ls_shift/su_max          0.0006
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0562P)^2^+0.5802P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.098534
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_reflns_limit_h_max              10
_reflns_limit_h_min              -10
_reflns_limit_k_max              25
_reflns_limit_k_min              0
_reflns_limit_l_max              9
_reflns_limit_l_min              0
_reflns_number_gt                2467
_reflns_number_total             2631
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c9nj05808g2.cif
_cod_data_source_block           AB-14
_cod_depositor_comments
;Adding full bibliography for 7059336.cif.

 Adding full bibliography for 7059336.cif.
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_cod_database_code               7059336