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_7134417
_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 H17 N O'
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_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2024-09-09 deposited with the CCDC.	2025-04-22 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_diffrn_ambient_temperature      295(2)
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_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0354
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.983
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_diffrn_reflns_point_group_measured_fraction_full 0.987
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_diffrn_reflns_theta_max         26.392
_diffrn_reflns_theta_min         2.516
_exptl_absorpt_coefficient_mu    0.080
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_description       block
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: ACETONITRILE'
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.161
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_refine_ls_extinction_coef       0.0021(4)
_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   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3429
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.1169
_refine_ls_R_factor_gt           0.0591
_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^)+(0.0268P)^2^+1.9895P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1247
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2109
_reflns_number_total             3429
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc01183c2.cif
_cod_data_source_block           bdn_541
_cod_depositor_comments
'Adding full bibliography for 7134416--7134417.cif.'
_cod_database_code               7134417
_shelx_shelxl_version_number     2019/1
_shelx_res_checksum              17819
_shelx_hkl_checksum              55562