High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+
Ling Chen; Heng-Yi Zhang; Yu Liu; Journal of Organic Chemistry 77 (2012) 9766–9773; doi:10.1021/jo301911w

data_4027682
_publ_section_title
;
 High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis,
 Evidence of Crystallography and Binding of NAD+
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9766
_journal_page_last               9773
_journal_paper_doi               10.1021/jo301911w
_journal_volume                  77
_journal_year                    2012
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_chemical_name_systematic
; 
 ? 
;
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_diffrn_ambient_temperature      113(2)
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_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       '\w and \f scans'
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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^)+(0.0803P)^2^+3.9776P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_original_formula_sum        'C56.50 H100.25 N4.25 O38.50 S4'
_cod_database_code               4027682