Information card for entry 4501469

Structure parameters

• Formula: C30 H28 N2 O4
• Calculated formula: C30 H28 N2 O4
• SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1)Cc1cc2c(cc1)cccc2
• Title of publication: Versatile small-molecule motifs for self-assembly in water and the formation of biofunctional supramolecular hydrogels.
• Authors of publication: Zhang, Ye; Kuang, Yi; Gao, Yuan; Xu, Bing
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2011
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 529 - 537
• a: 8.5295 ± 0.0006 Å
• b: 10.4269 ± 0.0007 Å
• c: 29.0633 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2584.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No