Information card for entry 2216453

Structure parameters

• Chemical name: <i>exo</i>-8,<i>exo</i>-11- Diallylpentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-<i>endo</i>- 8,<i>endo</i>-11-diol
• Formula: C17 H22 O2
• Calculated formula: C17 H22 O2
• SMILES: [C@H]12[C@H]3[C@@H]4C[C@@H]5[C@H]3[C@H]1[C@]([C@@H]5[C@@H]4[C@]2(CC=C)O)(CC=C)O
• Title of publication: <i>exo</i>-8,<i>exo</i>-11-Diallylpentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-<i>endo</i>-8,<i>endo</i>-11-diol
• Authors of publication: Boyle, Grant A.; Govender, Thavendran; Karpoormath, Rajshekhar; Kruger, Hendrik G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4797 - o4797
• a: 14.3516 ± 0.0009 Å
• b: 21.8695 ± 0.0016 Å
• c: 18.499 ± 0.0013 Å
• α: 90°
• β: 91.024 ± 0.002°
• γ: 90°
• Cell volume: 5805.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0661
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes