Information card for entry 4060358

Structure parameters

• Common name: Canada-12
• Formula: C25 H33 N O3
• Calculated formula: C25 H33 N O3
• SMILES: C1(CCCCC1)(C(C)C)C(=O)c1ccc(cc1)C(=O)[O-].c1(ccccc1)[C@H](C)[NH3+]
• 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: 48.05 ± 0.01 Å
• b: 6.381 ± 0.001 Å
• c: 14.63 ± 0.003 Å
• α: 90°
• β: 92.22 ± 0.01°
• γ: 90°
• Cell volume: 4482.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No