Palladium catalyzed C(sp<sup>3</sup>)-H alkylation of 8-methylquinolines with aziridines: access to functionalized γ-quinolinylpropylamines.
Sahoo, Anita; Paul, Tripti; Basak, Shubhajit; Punniyamurthy, Tharmalingam; Chemical communications (Cambridge, England) 60 (2024) 14818–14821; doi:10.1039/d4cc05275g

data_7133966
_publ_section_title
;
 Palladium catalyzed C(sp<sup>3</sup>)-H alkylation of 8-methylquinolines
 with aziridines: access to functionalized &#x3b3;-quinolinylpropylamines.
;
_journal_issue                   99
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              14818
_journal_page_last               14821
_journal_paper_doi               10.1039/d4cc05275g
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C19 H19 Br N2 O2 S'
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2024-08-13 deposited with the CCDC.	2024-11-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      2.31
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_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_diffrn_ambient_temperature      293(2)
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_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
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_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.308
_exptl_absorpt_coefficient_mu    2.424
_exptl_crystal_colour            colouress
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_description       needle
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         3157
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0400
_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^)+(0.0341P)^2^+2.5161P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.0964
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2767
_reflns_number_total             3157
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc05275g2.cif
_cod_data_source_block           as_56
_cod_depositor_comments          'Adding full bibliography for 7133966.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7133966
_shelx_shelxl_version_number     2019/1
_shelx_res_checksum              47050
_shelx_hkl_checksum              21817