Solution Structures of Lithium Enolates of Cyclopentanone, Cyclohexanone, Acetophenones, and Benzyl Ketones. Triple Ions and Higher Lithiate Complexes
Kristopher J. Kolonko; Margaret M. Biddle; Ilia A. Guzei; Hans J. Reich; Journal of the American Chemical Society 131 (2009) 11525–11534; doi:10.1021/ja903479p

data_4104866
_publ_contact_author_address
;
Department of Chemistry
University of Wisconsin-Madison
1101 University Ave
Madison, WI  53706
USA
;
_publ_contact_author_email       iguzei@chem.wisc.edu
_publ_contact_author_fax         608-262-0381
_publ_contact_author_name
;
Guzei, Ilia A. 
;
_publ_contact_author_phone       608-263-4694
_publ_section_title
;
 Solution Structures of Lithium Enolates of Cyclopentanone, Cyclohexanone,
 Acetophenones, and Benzyl Ketones. Triple Ions and Higher Lithiate
 Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11525
_journal_page_last               11534
_journal_paper_doi               10.1021/ja903479p
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C38 H42 F4 Li2 O4'
_chemical_formula_sum            'C38 H42 F4 Li2 O4'
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_audit_creation_method
;
manual editing of the CIF file 
created by SHELXTL Ver. 6.10
and processed with modiCIfer-03272007. 
;
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker CCD-1000 area detector'
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_exptl_absorpt_process_details
;
SADABS  (Bruker-AXS, 2007)
;
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+0.7860P] 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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_cod_original_sg_symbol_Hall     '-P 1        '
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