Threefold helical assembly <i>via</i> hydroxy hydrogen bonds: the 2:1 co-crystal of bicyclo[3.3.0]octane-<i>endo</i>-3,<i>endo</i>-7-diol and bicyclo[3.3.0]octane-<i>endo</i>-3,<i>exo</i>-7-diol
Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger; Acta Crystallographica Section E 77 (2021) 270–276; doi:10.1107/S2056989021001730

data_2243754
_publ_section_title
;
 Threefold helical assembly <i>via</i> hydroxy hydrogen bonds: the 2:1
 co-crystal of bicyclo[3.3.0]octane-<i>endo</i>-3,<i>endo</i>-7-diol and
 bicyclo[3.3.0]octane-<i>endo</i>-3,<i>exo</i>-7-diol
;
_journal_coeditor_code           ZL2800
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              270
_journal_page_last               276
_journal_paper_doi               10.1107/S2056989021001730
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          '0.66C8 H14 O2, 0.33C8 H14 O2'
_chemical_formula_moiety         'C8 H14 O2'
_chemical_formula_sum            'C8 H14 O2'
_chemical_formula_weight         142.19
_chemical_name_systematic
'Bicyclo[3.3.0]octane-<i>endo</i>-3,<i>endo</i>-7-diol--bicyclo[3.3.0]octane-<i>endo</i>-3,<i>exo</i>-7-diol (2/1)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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_cell_measurement_temperature    100(2)
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_computing_cell_refinement
;
<i>XDS</i> (Kabsch, 2010)
;
_computing_data_collection
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<i>XDS</i> (Kabsch, 2010)
;
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<i>XDS</i> (Kabsch, 2010)
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_computing_molecular_graphics
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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ShelXL (Sheldrick, 2015b)
;
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;
<i>SHELXT2018/2</i> (Sheldrick, 2015a)
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_diffrn_reflns_limit_k_min       -29
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_refine_ls_shift/su_mean         0.000
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'w=1/[\s^2^(Fo^2^)+(0.0636P)^2^+0.7974P] where P=(Fo^2^+2Fc^2^)/3'
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