Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents
Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng; Green Chemistry 28 (2026) 5753–5766; doi:10.1039/D5GC06338H

data_7251775
_publ_section_title
;
 Diastereoselective construction of complex spiroheterocycles via
 \g-C(sp3)--H functionalization of 1,1-disubstituted cyclohexanes with
 diverse bifunctional reagents
;
_journal_issue                   13
_journal_name_full               'Green Chemistry'
_journal_page_first              5753
_journal_page_last               5766
_journal_paper_doi               10.1039/D5GC06338H
_journal_volume                  28
_journal_year                    2026
_chemical_formula_moiety         'C37 H38 Cl N O4 S3'
_chemical_formula_sum            'C37 H38 Cl N O4 S3'
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_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2025-05-28 deposited with the CCDC.	2026-03-05 downloaded from the CCDC.
;
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_cell_volume                     3422.2(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 Venture'
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_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.992
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_diffrn_reflns_point_group_measured_fraction_full 0.992
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_diffrn_reflns_theta_full        25.139
_diffrn_reflns_theta_max         25.139
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_exptl_absorpt_coefficient_mu    0.336
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_exptl_absorpt_correction_T_min  0.900
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
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_exptl_crystal_description       prism
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.320
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_exptl_crystal_size_min          0.080
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0710P)^2^+1.0865P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1369
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4754
_reflns_number_total             6085
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5gc06338h3.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7251770--7251775.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7251775
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              15923