Light-promoted copper-catalyzed cage C-arylation of o-carboranes: facile synthesis of 1-aryl-o-carboranes and o-carborane-fused cyclics
Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei; New Journal of Chemistry 45 (2021) 14944–14948; doi:10.1039/D0NJ02029J

data_7059625
_publ_section_title
;
 Light-promoted copper-catalyzed cage C-arylation of o-carboranes: facile
 synthesis of 1-aryl-o-carboranes and o-carborane-fused cyclics
;
_journal_issue                   33
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14944
_journal_page_last               14948
_journal_paper_doi               10.1039/D0NJ02029J
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C9 H15 B10 N'
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_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   difmap
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Olex2 1.3-alpha
(compiled 2020.05.07 svn.rd67b107b for OlexSys, GUI svn.r6103)
;
_audit_update_record
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2020-05-14 deposited with the CCDC.	2020-05-19 downloaded from the CCDC.
;
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_cell_measurement_theta_max      15
_cell_measurement_theta_min      15
_cell_volume                     1385.13(11)
_computing_cell_refinement       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_collection       'BRUKER D8VENTURE DIFFRACTOMETER'
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_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'BRUKER D8VENTURE DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_refine_ls_extinction_coef       0.035(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.042
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_refine_ls_matrix_type           full
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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^)+(0.0722P)^2^+0.2953P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1287
_refine_ls_wR_factor_ref         0.1422
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2236
_reflns_number_total             2856
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj02029j2.cif
_cod_data_source_block           3n
_cod_depositor_comments          'Adding full bibliography for 7059625.cif.'
_cod_database_code               7059625
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.983
_shelx_estimated_absorpt_t_min   0.972
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
;
_shelx_res_checksum              30256
_olex2_submission_special_instructions 'No special instructions were received'