Information card for entry 2002007

Structure parameters

• Formula: C9 H10 O3
• Calculated formula: C9 H10 O3
• SMILES: O1C(=O)C=C[C@]2(CC(=O)C[C@@H]12)C.O1C(=O)C=C[C@@]2(CC(=O)C[C@H]12)C
• Title of publication: Structure of 6-methyl-2-oxabicyclo[4.3.0]non-4-ene-3,8-dione
• Authors of publication: Zukerman-Schpector, J.; Boscaini, R. C.; Ferreira, J. T. B.; Marques, F. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 385 - 387
• a: 6.61 ± 0.005 Å
• b: 11.272 ± 0.003 Å
• c: 10.738 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 800.1 ± 0.7 ų
• Cell temperature: 83 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No