Isoxazole group directed Rh(III)-catalyzed alkynylation using TIPS-EBX.
Das, Sukanya; Datta, Tanmoy; Sk, Md Abbasuddin; Roy, Brindaban; Nandi, Raj K.; Organic & biomolecular chemistry 22 (2024) 6922–6927; doi:10.1039/d4ob00797b

data_7159994
_publ_section_title
;
 Isoxazole group directed Rh(III)-catalyzed alkynylation using TIPS-EBX.
;
_journal_issue                   34
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              6922
_journal_page_last               6927
_journal_paper_doi               10.1039/d4ob00797b
_journal_volume                  22
_journal_year                    2024
_chemical_formula_moiety         'C38 H53 N O Si2'
_chemical_formula_sum            'C38 H53 N O Si2'
_chemical_formula_weight         595.99
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-03-13 deposited with the CCDC.	2024-06-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'SAINT (Bruker, 2008)'
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_computing_molecular_graphics
'PLATON (Spek, 2009) and ORTEP (Farrugia, 1997)'
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.876
_diffrn_measured_fraction_theta_max 0.876
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.876
_diffrn_reflns_Laue_measured_fraction_max 0.876
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            Colorless
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_exptl_crystal_description       Needle
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_refine_ls_number_reflns         2713
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_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.1276
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_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^)+(0.0591P)^2^+10.6351P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1752
_refine_ls_wR_factor_ref         0.2086
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1806
_reflns_number_total             2713
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ob00797b2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7159994.cif.'
_cod_original_cell_volume        3836.8(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7159994
_shelx_shelxl_version_number     2018/3
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