Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.
Hipwell, Vince M.; Garcia-Garibay, Miguel A; The Journal of organic chemistry 84 (2019) 11103–11113; doi:10.1021/acs.joc.9b01720

data_4033801
_publ_section_title
;
 Mechanistic Studies of Adamantylacetophenones with Competing Reaction
 Pathways in Solution and in the Crystalline Solid State.
;
_journal_issue                   17
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11103
_journal_page_last               11113
_journal_paper_doi               10.1021/acs.joc.9b01720
_journal_volume                  84
_journal_year                    2019
_chemical_formula_moiety         'C21 H28 O'
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_atom_sites_solution_hydrogens   geom
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           CuK\a
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_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            colorless
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3021
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0473
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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^)+(0.0605P)^2^+0.1898P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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