Dibenzoacridines: synthesis by alkyne-carbonyl-metathesis and properties.
Ammon, Erich; Heine, Paul; Cordero, Miguel Andre Argüello; Lochbrunner, Stefan; Villinger, Alexander; Ehlers, Peter; Langer, Peter; Organic & biomolecular chemistry 21 (2023) 4504–4517; doi:10.1039/d3ob00407d

data_7159362
_publ_section_title
;
 Dibenzoacridines: synthesis by alkyne-carbonyl-metathesis and properties.
;
_journal_issue                   21
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              4504
_journal_page_last               4517
_journal_paper_doi               10.1039/d3ob00407d
_journal_volume                  21
_journal_year                    2023
_chemical_formula_moiety         'C35 H21 N O2'
_chemical_formula_sum            'C35 H21 N O2'
_chemical_formula_weight         487.53
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-05-02 deposited with the CCDC.	2023-05-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   27.443(4)
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_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.17
_cell_measurement_theta_min      2.84
_cell_volume                     2379.9(6)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Apex Kappa-II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0947
_diffrn_reflns_av_unetI/netI     0.0604
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_theta_max         28.999
_diffrn_reflns_theta_min         2.251
_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_T_min  0.6252
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6308
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0518
_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^)+(0.0626P)^2^+0.9126P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1252
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_reflns_number_gt                4437
_reflns_number_total             6308
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ob00407d2.cif
_cod_data_source_block           is_erp115a
_cod_depositor_comments
'Adding full bibliography for 7159361--7159362.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7159362
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.997
_shelx_res_checksum              45817