Information card for entry 2001471

Structure parameters

• Formula: C13 H18 O2
• Calculated formula: C13 H18 O2
• SMILES: O[C@@H]1[C@@H]2[C@H]3[C@@H]4CC[C@@H]5[C@H]3[C@H]1[C@H]([C@@H]2O)[C@]45C.O[C@H]1[C@H]2[C@@H]3[C@H]4CC[C@H]5[C@@H]3[C@@H]1[C@@H]([C@H]2O)[C@@]45C
• Title of publication: A twisted pentacyclic diol derivative
• Authors of publication: Lloyd, B. A.; Arif, A. M.; Allred, E. L.; Sharp, T. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1534 - 1536
• a: 6.421 ± 0.002 Å
• b: 6.658 ± 0.004 Å
• c: 13.758 ± 0.005 Å
• α: 85.53 ± 0.03°
• β: 99.7 ± 0.03°
• γ: 117.54 ± 0.03°
• Cell volume: 514.1 ± 0.4 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 0.5522
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No