Information card for entry 4100370

Structure parameters

• Common name: Diepoxide 6
• Formula: C10 H16 O3
• Calculated formula: C10 H16 O3
• SMILES: O1C[C@]2(O[C@@H]2CC[C@]2(O[C@H]2C1)C)C.O1C[C@@]2(O[C@H]2CC[C@@]2(O[C@@H]2C1)C)C
• Authors of publication: Katsuhiko Tomooka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.012 ± 0.0005 Å
• b: 6.8002 ± 0.0003 Å
• c: 13.1662 ± 0.0005 Å
• α: 90°
• β: 115.748 ± 0.003°
• γ: 90°
• Cell volume: 968.69 ± 0.07 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No