Information card for entry 4060361

Structure parameters

• Formula: C27 H37 N O3
• Calculated formula: C27 H37 N O3
• SMILES: O=C(C1(CCCCCC1)C(C)C)c1ccc(cc1)C(=O)[O-].[NH3+][C@H](c1ccc(cc1)C)C
• Title of publication: Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction
• Authors of publication: Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem
• Journal of publication: Organic Letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1315 - 1318
• a: 14.05 ± 0.003 Å
• b: 6.38 ± 0.001 Å
• c: 14.914 ± 0.003 Å
• α: 90°
• β: 111.01 ± 0.02°
• γ: 90°
• Cell volume: 1248 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No