Information card for entry 7152544

Structure parameters

• Common name: Benzamide
• Formula: C66 H78 N6 O19
• Calculated formula: C66 H78 N6 O19
• Title of publication: 2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.
• Authors of publication: Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 32
• Pages of publication: 6469 - 6472
• a: 8.0564 ± 0.0005 Å
• b: 14.5528 ± 0.0008 Å
• c: 15.2944 ± 0.0008 Å
• α: 61.687 ± 0.002°
• β: 87.605 ± 0.002°
• γ: 88.859 ± 0.002°
• Cell volume: 1577.27 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No