Information card for entry 7157317

Structure parameters

• Common name: cage rearranged ketone
• Chemical name: (1R,5S,6aS,8R)-8-methoxy-2a-methyl-4-phenyloctahydro-1,4,5-(epiethane[1,1,2]triyl)cyclopenta[cd]pentalen-2(1H)-one
• Formula: C80 H88 O8
• Calculated formula: C80 H88 O8
• Title of publication: A new skeletal rearrangement of 1,7-dimethyl Cookson's cage dione catalyzed by a Lewis acid.
• Authors of publication: Kotha, Sambasivarao; Cheekatla, Subba Rao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1377 - 1383
• a: 12.1732 ± 0.0005 Å
• b: 12.4347 ± 0.0004 Å
• c: 21.2275 ± 0.0007 Å
• α: 106.423 ± 0.003°
• β: 90.464 ± 0.003°
• γ: 90.866 ± 0.003°
• Cell volume: 3081.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No