A metal-mediated boron-centred isomerisation reaction via C-H activation.
Braunschweig, Holger; Jimenez-Halla, J Oscar C; Radacki, Krzysztof; Shang, Rong; Chemical communications (Cambridge, England) 51 (2015) 16569–16572; doi:10.1039/c5cc07681a

data_7118038
_publ_section_title
;
 A metal-mediated boron-centred isomerisation reaction via C-H activation.
;
_journal_issue                   92
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              16569
_journal_page_last               16572
_journal_paper_doi               10.1039/c5cc07681a
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C19 H24 B Mn N2 O3'
_chemical_formula_sum            'C19 H24 B Mn N2 O3'
_chemical_formula_weight         394.15
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_secondary   iterative
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-08-25 deposited with the CCDC.
2015-09-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_measurement_temperature    100(2)
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_cell_volume                     1943.1(7)
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_exptl_absorpt_coefficient_mu    0.699
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_exptl_crystal_description       needle
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: pentane/dichloromethane'
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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^)+(0.0303P)^2^+1.4232P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc07681a2.cif
_cod_data_source_block           5
_cod_database_code               7118038
_shelx_estimated_absorpt_t_min   0.802
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_shelxl_version_number           2014/6
_shelx_res_checksum              81954