Information card for entry 2205388

Structure parameters

• Chemical name: (2-exo,7-exo,9-endo,10-endo)-11-Oxatricyclo[6.2.1.0^2,7^]undec-4-ene-9,10-diyl diacetate
• Formula: C14 H18 O5
• Calculated formula: C14 H18 O5
• SMILES: O1[C@@H]2[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1[C@H]1[C@@H]2CC=CC1
• Title of publication: (2-<i>exo</i>,7-<i>exo</i>,9-<i>endo</i>,10-<i>endo</i>)-11-Oxatricyclo[6.2.1.0^2,7^]undec-4-ene-9,10-diyl diacetate
• Authors of publication: Mehmet Akkurt; Sema Öztürk Yıldırım; Arif Baran; Hasan Seçen; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o760 - o762
• a: 5.843 ± 0.0003 Å
• b: 12.8501 ± 0.0008 Å
• c: 17.5767 ± 0.0011 Å
• α: 90°
• β: 97.449 ± 0.005°
• γ: 90°
• Cell volume: 1308.58 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No