Reversible 1,1-hydroaluminations and C-H activation in reactions of a cyclic (alkyl)(amino) carbene with alane.
Cao, Levy L.; Stephan, Douglas W.; Chemical communications (Cambridge, England) 54 (2018) 8407–8410; doi:10.1039/c8cc05013a

data_7121906
_publ_section_title
;
 Reversible 1,1-hydroaluminations and C-H activation in reactions of a
 cyclic (alkyl)(amino) carbene with alane.
;
_journal_issue                   60
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8407
_journal_page_last               8410
_journal_paper_doi               10.1039/c8cc05013a
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C44 H71 Al N2'
_chemical_formula_weight         655.00
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-06-21 deposited with the CCDC.
2018-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                79.775(3)
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_cell_angle_gamma                79.872(3)
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_cell_measurement_theta_min      2.38
_cell_volume                     2035.1(3)
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep 3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_min         1.573
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_exptl_absorpt_correction_T_min  0.6928
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            colorless
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_refine_ls_number_restraints     0
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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^)+(0.0806P)^2^+0.0168P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1297
_refine_ls_wR_factor_ref         0.1557
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5910
_reflns_number_total             9692
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc05013a2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7121906--7121908.cif.'
_cod_database_code               7121906
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              36210
_shelx_hkl_checksum              59729