Information card for entry 7216920

Structure parameters

• Chemical name: trans.7,7-Ethylenedioxybicyclo(4.4.0)decan-3-one
• Formula: C12 H18 O3
• Calculated formula: C12 H18 O3
• SMILES: O1C2(OCC1)CCC[C@H]1CC(=O)CC[C@H]21.O1C2(OCC1)CCC[C@@H]1CC(=O)CC[C@@H]21
• Title of publication: Rhodium(II)-carbenoid C–H insertion reactions in the synthesis of α,β′-dioxospirane systems
• Authors of publication: Aburel, Pompiliu S.; Rømming, Christian; Undheim, Kjell
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1024
• a: 5.6023 ± 0.0001 Å
• b: 9.0705 ± 0.0002 Å
• c: 11.2383 ± 0.0003 Å
• α: 100.203 ± 0.001°
• β: 99.784 ± 0.001°
• γ: 99.323 ± 0.001°
• Cell volume: 542.9 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0434
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.1115
• Goodness-of-fit parameter for all reflections: 1.118
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No