Taming the beast: fluoromesityl groups induce a dramatic stability enhancement in boroles
Zhang, Zuolun; Edkins, Robert M.; Haehnel, Martin; Wehner, Marius; Eichhorn, Antonius; Mailänder, Lisa; Meier, Michael; Brand, Johannes; Brede, Franziska; Müller-Buschbaum, Klaus; Braunschweig, Holger; Marder, Todd B.; Chem. Sci. 6 (2015) 5922–; doi:10.1039/C5SC02205C

data_1529063
_publ_section_title
;
 Taming the beast: fluoromesityl groups induce a dramatic stability
 enhancement in boroles
;
_journal_issue                   10
_journal_name_full               'Chem. Sci.'
_journal_page_first              5922
_journal_paper_doi               10.1039/C5SC02205C
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C28 H20 B F9 O'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-03-02 deposited with the CCDC.
2015-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.689(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_c                   15.690(2)
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_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.996
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_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       10
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_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_T_min  0.466556
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TwinAbs 2012/ (Bruker AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_description       needle
_exptl_crystal_F_000             2256
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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^)+(0.0796P)^2^+16.0770P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                6195
_reflns_number_total             8682
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5sc02205c2.cif
_cod_data_source_block           AE091_detwinned
_cod_depositor_comments
'Adding full bibliography for 1529061--1529063.cif.'
_cod_original_cell_volume        4851.2(11)
_cod_database_code               1529063
_shelx_shelxl_version_number     2014/7
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_exptl_absorpt_special_details   'TwinAbs 2012/ (Bruker AXS)'
_shelx_res_checksum              33341