Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.
Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.; Journal of the American Chemical Society 137 (2015) 7903–7914; doi:10.1021/jacs.5b04034

data_4123822
_publ_section_title
;
 Cobalt-Catalyzed [2\p + 2\p] Cycloadditions of Alkenes: Scope, Mechanism,
 and Elucidation of Electronic Structure of Catalytic Intermediates.
;
_journal_issue                   24
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7903
_journal_page_last               7914
_journal_paper_doi               10.1021/jacs.5b04034
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C50 H64 Co N4 O'
_chemical_formula_weight         795.98
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
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_cell_volume                     10359.4(8)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_reflns_av_R_equivalents  0.1123
_diffrn_reflns_av_unetI/netI     0.0465
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;
 1.0 molecule of pentane solvate per asymmetric 
unit was treated as a diffuse contribution to the 
overall scattering through the use of platon/squeeze.
;
_refine_diff_density_max         0.743
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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^)+(0.0923P)^2^+15.7044P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             9189
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 4123821--4123825.cif.'
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