Information card for entry 2243754

Structure parameters

• Chemical name: 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)
• Formula: C8 H14 O2
• Calculated formula: C8 H14 O2
• Title of publication: 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
• Authors of publication: Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 3
• Pages of publication: 270 - 276
• a: 6.2758 ± 0.0003 Å
• b: 23.6912 ± 0.001 Å
• c: 7.776 ± 0.004 Å
• α: 90°
• β: 91.21 ± 0.02°
• γ: 90°
• Cell volume: 1155.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes