Information card for entry 4060360

Structure parameters

• Common name: XW-174-2
• Formula: C17 H22 O3
• Calculated formula: C17 H22 O3
• SMILES: O=C(C1(CCCC1)C(C)C)c1ccc(cc1)C(=O)OC
• 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: 6.279 ± 0.001 Å
• b: 8.183 ± 0.002 Å
• c: 16.506 ± 0.003 Å
• α: 76.9 ± 0.02°
• β: 81.73 ± 0.02°
• γ: 68.4 ± 0.02°
• Cell volume: 766.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No