DMSO-catalyzed CO2 reduction with 9-BBN: selective formation of either formoxy- or methoxyborane under mild conditions and C-methylenation of indoles
Kumar, Ashok; Gupta, Rohit; Subramaniyan, Vasudevan; Mani, Ganesan; Catalysis Science & Technology 15 (2025) 678–688; doi:10.1039/D4CY01327A

data_1573544
_publ_section_title
;
 DMSO-catalyzed CO2 reduction with 9-BBN: selective formation of either
 formoxy- or methoxyborane under mild conditions and C-methylenation of
 indoles
;
_journal_issue                   3
_journal_name_full               'Catalysis Science &amp; Technology'
_journal_page_first              678
_journal_page_last               688
_journal_paper_doi               10.1039/D4CY01327A
_journal_volume                  15
_journal_year                    2025
_chemical_formula_sum            'C11 H21 B O3 S'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc2kzcpm
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-09-09 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_volume                     1286.9(3)
_computing_molecular_graphics    ortep
_computing_publication_material  ciftab
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'D8 QUEST'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_av_unetI/netI     0.1144
_diffrn_reflns_Laue_measured_fraction_full 0.989
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_diffrn_reflns_point_group_measured_fraction_full 0.989
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_diffrn_reflns_theta_full        24.992
_diffrn_reflns_theta_max         24.992
_diffrn_reflns_theta_min         2.687
_diffrn_source                   'Fine focused sealed tube'
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_exptl_absorpt_correction_T_min  0.3314
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colorless
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_refine_ls_R_factor_all          0.0970
_refine_ls_R_factor_gt           0.0548
_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^)+(0.0186P)^2^+0.0602P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_ref         0.1264
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1500
_reflns_number_total             2240
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cy01327a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 1573544.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1573544
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.842
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_shelx_res_checksum              47554
_shelx_hkl_checksum              63902