Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts
Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče; Acta Crystallographica Section B 72 (2016) 551–561; doi:10.1107/S2052520616006326

data_2107630
_publ_section_title
;
 Using crystal structure prediction to rationalize the hydration
 propensities of substituted adamantane hydrochloride salts
;
_journal_coeditor_code           GP5081
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_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              551
_journal_page_last               561
_journal_paper_doi               10.1107/S2052520616006326
_journal_volume                  72
_journal_year                    2016
_chemical_formula_sum            'C11 H19 N'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0290P)^2^+0.7802P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 2107630--2107631.cif.'
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