Information card for entry 2001590

Structure parameters

• Chemical name: cis,syn,cis-1-methoxy-tricyclo[6.3.0.0^2,6^]undecan-7-ol
• Formula: C12 H20 O2
• Calculated formula: C12 H20 O2
• SMILES: CO[C@@]12CCC[C@H]2[C@H]([C@@H]2[C@H]1CCC2)O
• Title of publication: Structures of some methylenecyclobutanols and transposed derivatives
• Authors of publication: Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1098 - 1103
• a: 14.317 ± 0.002 Å
• b: 12.02 ± 0.002 Å
• c: 6.49 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1116.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0534
• Goodness-of-fit parameter for significantly intense reflections: 0.6603
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: X-rayCuKαmean
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No