Information card for entry 7152545

Structure parameters

• Common name: Benzamide
• Formula: C21 H26 N2 O5
• Calculated formula: C21 H26 N2 O5
• SMILES: c1(cc(c(cc1)C(=O)Nc1ccc(c(c1)OC(C)C)C(=O)OC)OC(C)C)N
• 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: 9.0441 ± 0.0007 Å
• b: 13.9383 ± 0.001 Å
• c: 17.5956 ± 0.0012 Å
• α: 90°
• β: 99.421 ± 0.004°
• γ: 90°
• Cell volume: 2188.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No