Cost-effective chiral auxiliary-assisted remote asymmetric C(sp3)–H alkylation of hydroxamic acid derivatives with glycine derivatives
Yang, Zhongzhen; Li, Li; Chen, Jian; Hou, Jinyu; Fan, Hongying; Zhang, Xue; Lv, Guanghui; Wu, Yong; Catalysis Science & Technology 15 (2025) 4866–4871; doi:10.1039/D5CY00604J

data_1575106
_publ_section_title
;
 Cost-effective chiral auxiliary-assisted remote asymmetric C(sp3)--H
 alkylation of hydroxamic acid derivatives with glycine derivatives
;
_journal_issue                   16
_journal_name_full               'Catalysis Science &amp; Technology'
_journal_page_first              4866
_journal_page_last               4871
_journal_paper_doi               10.1039/D5CY00604J
_journal_volume                  15
_journal_year                    2025
_chemical_formula_sum            'C25 H37 N3 O4 S'
_chemical_formula_weight         475.63
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-05-30 deposited with the CCDC.	2025-07-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.228(12)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.608(3)
_cell_length_b                   14.414(4)
_cell_length_c                   11.847(4)
_cell_measurement_temperature    297(2)
_cell_volume                     1269.7(7)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0605
_diffrn_reflns_av_unetI/netI     0.0385
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            37668
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.534
_diffrn_reflns_theta_min         2.739
_exptl_absorpt_coefficient_mu    0.162
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.133
_refine_diff_density_min         -0.192
_refine_diff_density_rms         0.030
_refine_ls_abs_structure_details
;
 Flack x determined using 1773 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         5793
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0411
_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^)+(0.0501P)^2^+0.1387P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0963
_refine_ls_wR_factor_ref         0.1074
_reflns_Friedel_coverage         0.915
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.985
_reflns_number_gt                4536
_reflns_number_total             5793
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cy00604j2.cif
_cod_data_source_block           mo_wy_hjy0401_1_0m_a
_cod_depositor_comments          'Adding full bibliography for 1575106.cif.'
_cod_original_cell_volume        1269.8(7)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1575106
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.932
_shelx_estimated_absorpt_t_max   0.989
_shelx_res_checksum              29032