Information card for entry 4023163

Structure parameters

• Formula: C8 H6 O4
• Calculated formula: C8 H6 O4
• SMILES: C1(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O1)O3
• Title of publication: Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide
• Authors of publication: Yit Wooi Goh; Brett R. Pool; Jonathan M. White
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 151 - 156
• a: 5.36 ± 0.0012 Å
• b: 6.9759 ± 0.0015 Å
• c: 18.844 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 704.6 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No