Information card for entry 2207535

Structure parameters

• Chemical name: 5endo,6endo-di-(acetoxymethyl)-bicyclo[2.2.1]hept-2-ene
• Formula: C13 H18 O4
• Calculated formula: C13 H18 O4
• SMILES: O(C(=O)C)C[C@H]1[C@H]2C=C[C@H](C2)[C@H]1COC(=O)C
• Title of publication: 5-<i>endo</i>,6-<i>endo</i>-Bis(acetoxymethyl)bicyclo[2.2.1]hept-2-ene
• Authors of publication: Lili Sun; Chunbao Li; Huiming Chen
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: 3981 - o3982
• a: 10.114 ± 0.002 Å
• b: 6.5143 ± 0.0014 Å
• c: 19.311 ± 0.004 Å
• α: 90°
• β: 93.372 ± 0.003°
• γ: 90°
• Cell volume: 1270.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No