Information card for entry 2200537

Structure parameters

• Common name: Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid
• Chemical name: Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid
• Formula: C8 H12 O3
• Calculated formula: C8 H12 O3
• SMILES: O[C@@H]1[C@H]2[C@@H](C[C@@H](C1)C2)C(=O)O.O[C@H]1[C@@H]2[C@H](C[C@H](C1)C2)C(=O)O
• Title of publication: Racemic 6-<i>exo</i>-hydroxybicyclo[2.2.1]heptane-2-<i>exo</i>-carboxylic acid
• Authors of publication: Smith, Graham; Bott, Raymond C.; Jenkins, Ian D.; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o788 - o789
• a: 11.821 ± 0.002 Å
• b: 10.7618 ± 0.0018 Å
• c: 6.3146 ± 0.0011 Å
• α: 90°
• β: 101.86 ± 0.014°
• γ: 90°
• Cell volume: 786.2 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes