Regioselective electrophilic borylation of haloarenes.
Del Grosso, Alessandro; Ayuso Carrillo, Josue; Ingleson, Michael J.; Chemical communications (Cambridge, England) 51 (2015) 2878–; doi:10.1039/c4cc10153g

data_7116287
_publ_section_title
;
 Regioselective electrophilic borylation of haloarenes.
;
_journal_issue                   14
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2878
_journal_paper_doi               10.1039/c4cc10153g
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C10 H6 Al Cl6 N2, Al Cl4'
_chemical_formula_sum            'C10 H6 Al2 Cl10 N2'
_chemical_formula_weight         562.63
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;
 ?
;
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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2014-12-10 deposited with the CCDC.
2015-01-02 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
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_computing_publication_material
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O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
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_computing_structure_refinement
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SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
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olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
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  1 omega  -90.00  -47.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
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omega____ theta____ kappa____ phi______ frames
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  3 omega  -26.00   79.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3360   19.0000  120.0000 105
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_diffrn_radiation_wavelength     0.7107
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_diffrn_reflns_av_unetI/netI     0.0927
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_number            6536
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.990
_diffrn_reflns_theta_min         3.191
_diffrn_source                   'SuperNova (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.778
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0138P)^2^+4.4984P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                2844
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc10153g2.cif
_cod_data_source_block           amji173
_cod_depositor_comments
'Adding full bibliography for 7116287--7116290.cif.'
_cod_original_cell_volume        2101.9(2)
_cod_database_code               7116287
_chemical_oxdiff_formula         'C5 H3 Al1 N1 Cl5'
_reflns_odcompleteness_completeness 99.20
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_olex2_refinement_description
;
1. Others
 Fixed Uiso: H7(0.027) H3(0.036) H2(0.028) H8(0.033) H9(0.028) H4(0.032)
 Fixed X: H7(0.4729) H3(0.6007) H2(0.8156) H8(0.5267) H9(0.8042) H4(0.5926)
 Fixed Y: H7(0.356) H3(0.5399) H2(0.6647) H8(0.1702) H9(0.0731) H4(0.3453)
 Fixed Z: H7(0.5137) H3(0.786) H2(0.7486) H8(0.4808) H9(0.5041) H4(0.7593)
;
_olex2_submission_special_instructions 'No special instructions were received'
_shelxl_version_number           2014-3