Information card for entry 4516588

Structure parameters

• Common name: nilwl06
• Formula: C24.7 H20 N2 O4.6
• Calculated formula: C24.704 H20 N2 O4.592
• 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: 5.747 ± 0.003 Å
• b: 15.85 ± 0.007 Å
• c: 22.201 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2022.3 ± 1.7 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: 0.1257
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No