Information card for entry 7205714

Structure parameters

• Formula: C34 H55 N5 O8
• Calculated formula: C34 H55 N5 O8
• SMILES: O(C)C(=O)C(NC(=O)[C@H](NC(=O)C(NC(=O)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)CC(C)C)C(C)C)(C)C)Cc1ccccc1)(C)C
• Title of publication: Fabrication of nanoporous material from a hydrophobic peptide
• Authors of publication: Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3064
• a: 10.9742 ± 0.0003 Å
• b: 11.196 ± 0.0003 Å
• c: 32.3795 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3978.38 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1031
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No