Information card for entry 7110592

Structure parameters

• Formula: C7 H10 O3
• Calculated formula: C7 H10 O3
• SMILES: O1C(=CC(=O)COCC1)C
• Title of publication: Catalysis of chlorosilane on the ring-expansion of cyclic acetals bearing a carbene precursor. Lewis acid‒base effect on the oxonium ylide intermediate
• Authors of publication: Mori, Takashi; Oku, Akira
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 14
• Pages of publication: 1339
• a: 13.686 ± 0.001 Å
• b: 4.231 ± 0.001 Å
• c: 14.108 ± 0.002 Å
• α: 90°
• β: 117.924 ± 0.003°
• γ: 90°
• Cell volume: 721.8 ± 0.2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No