Information card for entry 7213281

Structure parameters

• Chemical name: exo-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]2[C@@H]3[C@@H]4O[C@@H](CC4)[C@@H]3[C@H]1C=C2
• 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: 7.8726 ± 0.0005 Å
• b: 5.358 ± 0.0004 Å
• c: 18.8596 ± 0.0006 Å
• α: 90°
• β: 93.633 ± 0.004°
• γ: 90°
• Cell volume: 793.93 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No