An efficient Selectfluor-mediated condensation of indoles and anthranilates for synthesis of indoloquinazolinones
Wang, Xinzhe; Wu, Zhipeng; Tu, Guogang; Zhao, Yuanyue; Xiong, Xiaodong; Chemical Communications  (2023) –; doi:10.1039/D3CC02673F

data_7131801
_publ_section_title
;
 An efficient Selectfluor-mediated condensation of indoles and
 anthranilates for synthesis of indoloquinazolinones
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D3CC02673F
_journal_year                    2023
_chemical_formula_sum            'C16 H11 F N2 O'
_chemical_formula_weight         266.27
_space_group_crystal_system      monoclinic
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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   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2023-03-03 deposited with the CCDC.	2023-06-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.6845(12)
_cell_angle_gamma                90
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_cell_length_b                   14.0532(6)
_cell_length_c                   11.9858(5)
_cell_measurement_reflns_used    309
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      15
_cell_volume                     1255.93(9)
_computing_cell_refinement       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_collection       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_reduction        'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_molecular_graphics    'BRUKER SHELXTL'
_computing_publication_material  'BRUKER SHELXTL'
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'BRUKER D8VENTURE DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0151
_diffrn_reflns_Laue_measured_fraction_full 0.994
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         2.823
_exptl_absorpt_coefficient_mu    0.100
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_exptl_absorpt_correction_T_min  0.6251
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_size_mid          0.400
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2269
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0396
_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^)+(0.0680P)^2^+0.1633P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1871
_reflns_number_total             2269
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           xxd3430
_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_estimated_absorpt_t_min   0.952
_shelx_estimated_absorpt_t_max   0.971
_shelxl_version_number           2014/6
_shelx_res_checksum              77682
_shelx_hkl_checksum              21528