Information card for entry 7213282

Structure parameters

• Chemical name: endo-exo-1,4:5,8-diepoxy-1,23,4a,5,8,8a-octahydronaphthalene
• Formula: C10 H12 O2
• Calculated formula: C10 H12 O2
• SMILES: O1[C@@H]2C=C[C@H]1[C@@H]1[C@H]3O[C@H](CC3)[C@H]21
• Title of publication: 7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study †
• Authors of publication: Eckert-Maksić, Mirjana; Novak-Doumbouya, Nana; Kiralj, Rudolf; Kojić-Prodić, Biserka
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1483
• a: 6.517 ± 0.007 Å
• b: 18.98 ± 0.01 Å
• c: 6.754 ± 0.008 Å
• α: 90°
• β: 107.16 ± 0.06°
• γ: 90°
• Cell volume: 798.2 ± 1.4 ų
• Cell temperature: 100 ± 3 K
• Ambient diffraction temperature: 100 ± 3 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 all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No