Fourfold alkyl wrapping of a copper(II) porphyrin thwarts macrocycle π‒π stacking in a compact supramolecular package
Nalaoh, Phattananawee; Bureekaew, Sareeya; Promarak, Vinich; Lindsey, Jonathan S.; Acta Crystallographica Section C 76 (2020) 647–654; doi:10.1107/S2053229620007172

data_2022222
_publ_section_title
;
 Fourfold alkyl wrapping of a copper(II) porphyrin thwarts macrocycle
 \p--\p stacking in a compact supramolecular package
;
_journal_coeditor_code           YP3204
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              647
_journal_page_last               654
_journal_paper_doi               10.1107/S2053229620007172
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          '[Cu (C64 H82 Br2 N4 O4)]'
_chemical_formula_moiety         'C64 H82 Br2 Cu N4 O4'
_chemical_formula_sum            'C64 H82 Br2 Cu N4 O4'
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;
{10,20-Bis[2,6-bis(octyloxy)phenyl]-5,15-dibromoporphinato}copper(II)
;
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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SAINT (Bruker, 2016)
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APEX3 (Bruker, 2016)
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SAINT (Bruker, 2016)
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OLEX2 (Dolomanov <i>et al.</i>, 2009) and
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OLEX2 (Dolomanov <i>et al.</i>, 2009) and
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SHELX2018 (Sheldrick, 2015)
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olex2.solve (Bourhis <i>et al.</i>,  2015)
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;
(SADABS; Bruker, 2016)
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0317P)^2^+1.1126P] where P=(Fo^2^+2Fc^2^)/3'
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