Information card for entry 2001950

Structure parameters

• Formula: C14 H18 O3
• Calculated formula: C14 H18 O3
• SMILES: COC1(OC)[C@@H]2C=C[C@H]1[C@@H]1[C@H]2[C@H]2CC[C@@H]1C2=O
• Title of publication: Ketone pyramidalization in a tetracyclic perpendicular enone derivative
• Authors of publication: Lloyd, B. A.; Ericson, C.; Arif, A. M.; Allred, E. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 257 - 261
• a: 14.113 ± 0.002 Å
• b: 10.032 ± 0.001 Å
• c: 17.086 ± 0.002 Å
• α: 90°
• β: 103.55 ± 0.01°
• γ: 90°
• Cell volume: 2351.7 ± 0.5 ų
• 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
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No