Information card for entry 4023159

Structure parameters

• Formula: C12 H16 O3 Si
• Calculated formula: C12 H16 O3 Si
• SMILES: C1(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)O1)C3[Si](C)(C)C
• 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: 12.636 ± 0.002 Å
• b: 6.4982 ± 0.0011 Å
• c: 15.649 ± 0.003 Å
• α: 90°
• β: 107.573 ± 0.003°
• γ: 90°
• Cell volume: 1225 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No