Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.
Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.; Journal of the American Chemical Society 140 (2018) 6014–6026; doi:10.1021/jacs.8b02869

data_4132303
_publ_section_title
;
 Dissecting Porosity in Molecular Crystals: Influence of Geometry,
 Hydrogen Bonding, and [\p&#x00B7;&#x00B7;&#x00B7;\p] Stacking on the
 Solid-State Packing of Fluorinated Aromatics.
;
_journal_issue                   18
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6014
_journal_page_last               6026
_journal_paper_doi               10.1021/jacs.8b02869
_journal_volume                  140
_journal_year                    2018
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_diffrn_ambient_temperature      100(2)
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_exptl_crystal_description       needle
_exptl_crystal_F_000             733
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_exptl_crystal_size_min          0.01
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_refine_diff_density_min         -0.338
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0981P)^2^+0.2750P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             5588
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        1621.9(3)
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