Information card for entry 2231164

Structure parameters

• Chemical name: (1<i>S</i>*,3<i>S</i>*,8<i>S</i>*,10<i>S</i>*)-10-Fluoro-15- oxatetracyclo[6.6.1.0^1,10^.0^3,8^]pentadeca-5,12-dien-3-ol
• Formula: C14 H17 F O2
• Calculated formula: C14 H17 F O2
• SMILES: F[C@]12C[C@@]34O[C@@]2(CC=CC1)C[C@@]4(O)CC=CC3.F[C@@]12C[C@]34O[C@]2(CC=CC1)C[C@]4(O)CC=CC3
• Title of publication: (1<i>S</i>*,3<i>S</i>*,8<i>S</i>*,10<i>S</i>*)-10-Fluoro-15-oxatetracyclo[6.6.1.0^1,10^.0^3,8^]pentadeca-5,12-dien-3-ol
• Authors of publication: Mehta, Goverdhan; Sen, Saikat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1985
• a: 8.1603 ± 0.0006 Å
• b: 10.9148 ± 0.0008 Å
• c: 13.5558 ± 0.001 Å
• α: 90°
• β: 96.285 ± 0.003°
• γ: 90°
• Cell volume: 1200.13 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes