Information card for entry 7110026

Structure parameters

• Formula: C38 H60 N6 O8
• Calculated formula: C38 H60 N6 O8
• SMILES: N1(C[C@@H]2CN(C[C@H](C1)C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1)CC(C)C)CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)OC
• Title of publication: Bispidine as a helix inducing scaffold: examples of helically folded linear peptides
• Authors of publication: V. Haridas; Sandhya Sadanandan; M. V. S. Gopalakrishna; M. B. Bijesh; Ram. P. Verma; Srinivas Chinthalapalli; Ashutosh Shandilya
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10980
• a: 13.848 ± 0.003 Å
• b: 9.57 ± 0.002 Å
• c: 15.768 ± 0.004 Å
• α: 90°
• β: 94.215 ± 0.005°
• γ: 90°
• Cell volume: 2084 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No