Information card for entry 4023164

Structure parameters

• Formula: C9 H9 N O3
• Calculated formula: C9 H9 N O3
• SMILES: C1(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1C)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: 6.6227 ± 0.0003 Å
• b: 15.9098 ± 0.0008 Å
• c: 7.7878 ± 0.0004 Å
• α: 90°
• β: 98.204 ± 0.001°
• γ: 90°
• Cell volume: 812.17 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 403 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No