Information card for entry 7113737

Structure parameters

• Formula: C22 H40 N4 O7
• Calculated formula: C22 H40 N4 O7
• SMILES: C(=O)(OC)CCNC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(C)C
• Title of publication: First crystallographic signature of an acyclic peptide nanorod: molecular mechanism of nanorod formation by a self-assembled tetrapeptide
• Authors of publication: Haldar, Debasish; Banerjee, Arijit; Drew, Michael G. B.; Das, Apurba Kumar; Banerjee, Arindam
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1406 - 1407
• a: 9.167 ± 0.015 Å
• b: 15.61 ± 0.02 Å
• c: 19.07 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2729 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1414
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103705
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No