Information card for entry 2010754

Structure parameters

• Chemical name: (R/S)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione
• Formula: C10 H14 O3
• Calculated formula: C10 H14 O3
• SMILES: O1C(=O)[C@@]2(CC[C@H](C1=O)C2(C)C)C.O1C(=O)[C@]2(CC[C@@H](C1=O)C2(C)C)C
• Title of publication: The low-temperature study of <small>D</small>- and <small>DL</small>-camphoric anhydride
• Authors of publication: Kumaradhas, P; Levendis, D. C.; Koritsanszky, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e103 - e104
• a: 6.4152 ± 0.0004 Å
• b: 11.4413 ± 0.0008 Å
• c: 12.5623 ± 0.0008 Å
• α: 90°
• β: 91.968°
• γ: 90°
• Cell volume: 921.51 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• 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
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes