Information card for entry 4516589

Structure parameters

• Common name: nilwl09
• Formula: C25 H23 N O4
• Calculated formula: C25 H23 N O4
• SMILES: O(CC1c2ccccc2c2ccccc12)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)C
• Title of publication: Substituent Effects on the Self-Assembly/Coassembly and Hydrogelation of Phenylalanine Derivatives.
• Authors of publication: Liyanage, Wathsala; Nilsson, Bradley L.
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2016
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 787 - 799
• a: 5.6748 ± 0.0007 Å
• b: 15.6612 ± 0.0019 Å
• c: 22.411 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1991.8 ± 0.4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.078
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No