Information card for entry 2005305

Structure parameters

• Formula: C17 H16 O2
• Calculated formula: C17 H16 O2
• SMILES: O=C1[C@@H]2[C@H]3[C@H]4C[C@@H]2[C@]2([C@]51C=CC=C[C@]5(C3=O)[C@@]42C)C
• Title of publication: Two Methylated Hexacyclic Cage Diketones
• Authors of publication: Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2061 - 2063
• a: 7.175 ± 0.001 Å
• b: 12.0275 ± 0.0008 Å
• c: 7.275 ± 0.001 Å
• α: 90°
• β: 95.51 ± 0.009°
• γ: 90°
• Cell volume: 624.91 ± 0.13 ų
• Cell temperature: 294 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.0805
• Goodness-of-fit parameter for significantly intense reflections: 2.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No