Information card for entry 1572616

Structure parameters

• Common name: MUAFO
• Chemical name: MUAFO
• Formula: C21 H25 N3 O4
• Calculated formula: C21 H25 N3 O4
• SMILES: O=C(Nc1ccccc1)NC(C(=O)N[C@H](C(=O)OC)Cc1ccccc1)(C)C
• Title of publication: Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.
• Authors of publication: Haridas, V.; Maurya, Govind P.; Dutta, Souvik
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 16908 - 16916
• a: 5.3552 ± 0.0006 Å
• b: 11.2241 ± 0.0013 Å
• c: 33.85 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2034.6 ± 0.4 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 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: 0.1051
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No