Metal free TBHP-promoted intramolecular carbonylation of arenes via radical cross-dehydrogenative coupling: synthesis of indenoquinolinones, 4-azafluorenones and fluorenones.
Mishra, Kalpana; Pandey, Ashok Kumar; Singh, Jay Bahadur; Singh, Radhey M.; Organic & biomolecular chemistry 14 (2016) 6328–6336; doi:10.1039/c6ob00998k

data_7155154
_publ_section_title
;
 Metal free TBHP-promoted intramolecular carbonylation of arenes via
 radical cross-dehydrogenative coupling: synthesis of indenoquinolinones,
 4-azafluorenones and fluorenones.
;
_journal_issue                   26
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              6328
_journal_page_last               6336
_journal_paper_doi               10.1039/c6ob00998k
_journal_volume                  14
_journal_year                    2016
_chemical_formula_moiety         'C19 H10 F3 N O2'
_chemical_formula_sum            'C19 H10 F3 N O2'
_chemical_formula_weight         341.28
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-04-03 deposited with the CCDC.
2016-05-31 downloaded from the CCDC.
;
_cell_angle_alpha                84.298(6)
_cell_angle_beta                 82.177(7)
_cell_angle_gamma                84.893(6)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      32.5
_cell_measurement_theta_min      3.5
_cell_volume                     749.33(11)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 16.0938
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0484
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.897
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_diffrn_reflns_limit_l_min       -25
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         32.461
_diffrn_reflns_theta_min         3.460
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.124
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SCALE3
_exptl_crystal_colour            color
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_gt           0.0734
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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^)+(0.1041P)^2^+0.2167P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1927
_refine_ls_wR_factor_ref         0.2390
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_reflns_number_gt                2632
_reflns_number_total             4848
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ob00998k2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7155154.cif.'
_cod_database_code               7155154
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.960
_shelx_estimated_absorpt_t_max   0.984
_shelx_res_checksum              46340