Information card for entry 4020904

Structure parameters

• Formula: C18 H17 N O2
• Calculated formula: C18 H17 N O2
• SMILES: C1[C@@H](c2ccccc2)N(/C=C(/C)c2ccccc2)C(=O)O1
• Title of publication: Enecarbamates as Selective Substrates in Oxidations: Chiral-Auxiliary-Controlled Mode Selectivity and Diastereoselectivity in the [2+2] Cycloaddition and Ene Reaction of Singlet Oxygen and in the Epoxidation by DMD and mCPBA
• Authors of publication: Waldemar Adam; Sara G. Bosio; Nicholas J. Turro; Barbara T. Wolff
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1704 - 1715
• a: 10.4657 ± 0.0005 Å
• b: 10.8886 ± 0.0006 Å
• c: 12.9242 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1472.8 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No