Information card for entry 2003192

Structure parameters

• Formula: C14 H22 O3
• Calculated formula: C14 H22 O3
• SMILES: O=C1CC[C@@]2([C@H]([C@H]1C)CCCC12OCCO1)C.O=C1CC[C@]2([C@@H]([C@@H]1C)CCCC12OCCO1)C
• Title of publication: (1β,5α,6β)-10,10-(1,2-Ethylenedioxy)-1,5-di-methylbicyclo [4.4.0]decan-4-one
• Authors of publication: Park, Kwangyong; Swenson, Dale C.; Scott, William J.; Wiemer, David F.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 268 - 270
• a: 7.889 ± 0.001 Å
• b: 19.49 ± 0.003 Å
• c: 8.559 ± 0.001 Å
• α: 90°
• β: 101.7 ± 0.01°
• γ: 90°
• Cell volume: 1288.7 ± 0.6 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for significantly intense reflections: 1.43
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No