Information card for entry 2001951

Structure parameters

• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• SMILES: O([C@H]1[C@@H]2[C@H]3[C@H]4[C@H]([C@@H]1[C@@]1([C@H]4CC[C@H]31)C)C2=O)C.O([C@@H]1[C@H]2[C@@H]3[C@@H]4[C@@H]([C@H]1[C@]1([C@@H]4CC[C@@H]31)C)C2=O)C
• Title of publication: A twisted pentacyclic ketone derivative
• Authors of publication: Lloyd, B. A.; Arif, A. M.; Allred, E. L.; Patton, A.; Sharp, T. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 261 - 263
• a: 7.288 ± 0.001 Å
• b: 12.432 ± 0.003 Å
• c: 24.392 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2210 ± 0.6 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No