Information card for entry 2220162

Structure parameters

• Chemical name: <i>anti</i>-Tricyclo[4.2.1.1^2,5^]deca-3,7-diene-9-<i>endo</i>,10-<i>endo</i>- diol
• Formula: C10 H12 O2
• Calculated formula: C10 H12 O2
• SMILES: O[C@@H]1[C@H]2C=C[C@@H]1[C@@H]1[C@@H]([C@H]2C=C1)O
• Title of publication: <i>anti</i>-Tricyclo[4.2.1.1^2,5^]deca-3,7-diene-9-<i>endo</i>,10<i>-endo</i>-diol
• Authors of publication: Harris, Andria D.; Baucom, Amy D.; Sierra, Maria del Rosario I. Amado; Jones, Daniel S.; Etzkorn, Markus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2270
• a: 10.373 ± 0.0014 Å
• b: 9.8494 ± 0.0014 Å
• c: 7.7128 ± 0.0011 Å
• α: 90°
• β: 91.85 ± 0.011°
• γ: 90°
• Cell volume: 787.59 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes