Information card for entry 4117024

Structure parameters

• Formula: C28 H25 N O
• Calculated formula: C28 H25 N O
• SMILES: [C@H](NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C)c1ccccc1
• Title of publication: Indifference to Hydrogen Bonding in a Family of Secondary Amides
• Authors of publication: D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 8528 - 8532
• a: 8.9722 ± 0.0002 Å
• b: 9.8641 ± 0.0002 Å
• c: 24.0202 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2125.85 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.0741
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No