Information card for entry 4024133

Structure parameters

• Formula: C24 H35 N3 O8
• Calculated formula: C24 H35 N3 O8
• SMILES: O(C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1c(OC)cc(OC)c(c1)C(=O)OC)C(C)(C)C
• Title of publication: Conformationally Constrained Aliphatic-Aromatic Amino-Acid-Conjugated Hybrid Foldamers with Periodic β-Turn Motifs
• Authors of publication: Deekonda Srinivas; Rajesh Gonnade; Sapna Ravindranathan; Gangadhar J. Sanjayan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 7022 - 7025
• a: 16.126 ± 0.003 Å
• b: 21.227 ± 0.003 Å
• c: 16.074 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5502.2 ± 1.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No