Information card for entry 2011433

Structure parameters

• Formula: C11 H12 O4
• Calculated formula: C11 H12 O4
• SMILES: [C@H]12C(=O)O[C@@H]([C@H]1[C@H]1C=C[C@@H]2C1)OC(=O)C
• Title of publication: (5<i>S</i>)-3-Oxo-4-oxa-<i>endo</i>-tricyclo[5.2.1.0^2,6^]dec-8-en-5-yl acetate
• Authors of publication: Ellis, Dianne D.; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1269 - 1270
• a: 7.4538 ± 0.0008 Å
• b: 7.5568 ± 0.0007 Å
• c: 17.6385 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 993.52 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes