Information card for entry 7216886

Structure parameters

• Formula: C20 H25 N O3
• Calculated formula: C20 H25 N O3
• Title of publication: Investigation of arene‒arene interaction in stereoselective MCPBA epoxidation
• Authors of publication: Kishikawa, Keiki; Naruse, Mamoru; Kohmoto, Shigeo; Yamamoto, Makoto; Yamaguchi, Kentaro
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 462
• a: 11.665 ± 0.001 Å
• b: 9.667 ± 0.001 Å
• c: 16.1 ± 0.001 Å
• α: 90°
• β: 98.06 ± 0.007°
• γ: 90°
• Cell volume: 1797.6 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0614
• Goodness-of-fit parameter for significantly intense reflections: 1.911
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No