Rh-catalyzed [3+3]-annulation of quinolines with cyclopropenones: access to functionalized 2-quinolones
Debnath, Bijoy; Mandal, Santu; Saha, Sharajit; Karjee, Pallab; Punniyamurthy, Tharmalingam; Chemical Communications 61 (2025) 7875–7878; doi:10.1039/D5CC01183C

data_7134416
_publ_section_title
;
 Rh-catalyzed [3+3]-annulation of quinolines with cyclopropenones: access
 to functionalized 2-quinolones
;
_journal_issue                   43
_journal_name_full               'Chemical Communications'
_journal_page_first              7875
_journal_page_last               7878
_journal_paper_doi               10.1039/D5CC01183C
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C24 H15 N O2'
_chemical_formula_sum            'C24 H15 N O2'
_chemical_formula_weight         349.37
_chemical_name_systematic        'BDN 390'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_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-2019/1
_audit_update_record
;
2024-09-09 deposited with the CCDC.	2025-04-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.342(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3265(7)
_cell_length_b                   16.1716(11)
_cell_length_c                   11.8420(8)
_cell_measurement_reflns_used    9875
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      25.06
_cell_measurement_theta_min      2.52
_cell_volume                     1784.6(2)
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            38384
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.087
_diffrn_reflns_theta_max         25.087
_diffrn_reflns_theta_min         2.519
_exptl_absorpt_coefficient_mu    0.083
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_description       needle
_exptl_crystal_F_000             728
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: ACETONITRILE'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.323
_refine_diff_density_min         -0.185
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       0.014(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3162
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0473P)^2^+1.4662P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1293
_refine_ls_wR_factor_ref         0.1553
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2251
_reflns_number_total             3162
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc01183c2.cif
_cod_data_source_block           bdn_390_0m_a
_cod_depositor_comments
'Adding full bibliography for 7134416--7134417.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7134416
_shelx_shelxl_version_number     2019/1
_shelx_res_checksum              80221
_shelx_hkl_checksum              39015