Information card for entry 4020343

Structure parameters

• Formula: C10 H14 O2
• Calculated formula: C10 H14 O2
• SMILES: O=C1OC[C@@H]2[C@@H]1[C@H]([C@@H](C=C2)C)C.O=C1OC[C@H]2[C@H]1[C@@H]([C@H](C=C2)C)C
• Title of publication: Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes
• Authors of publication: Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5561 - 5570
• a: 12.177 ± 0.002 Å
• b: 9.0889 ± 0.0016 Å
• c: 8.1797 ± 0.0014 Å
• α: 90°
• β: 98.466 ± 0.003°
• γ: 90°
• Cell volume: 895.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No