Information card for entry 4517362

Structure parameters

• Formula: C27 H29 N3 O5
• Calculated formula: C27 H29 N3 O5
• SMILES: O=C(NC(C(=O)N[C@H](C(=O)OC)Cc1ccc(O)cc1)(C)C)c1c(Nc2ccccc2)cccc1
• Title of publication: Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation
• Authors of publication: Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 6.9049 ± 0.0006 Å
• b: 17.9673 ± 0.0013 Å
• c: 10.1305 ± 0.0007 Å
• α: 90°
• β: 106.637 ± 0.009°
• γ: 90°
• Cell volume: 1204.2 ± 0.17 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0455
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No