Information card for entry 1515937

Structure parameters

• Common name: 2NaG
• Chemical name: (2Z)-[(2-{[(naphthalen-1-yloxy)acetyl]amino}propanoyl) imino]ethanoic acid
• Formula: C17 H18 N2 O5
• Calculated formula: C17 H18 N2 O5
• SMILES: O(c1cccc2ccccc12)CC(=O)N[C@@H](C)C(=O)NCC(=O)O
• Title of publication: The delicate balance between gelation and crystallisation: structural and computational investigations
• Authors of publication: Adams, Dave J.; Morris, Kyle; Chen, Lin; Serpell, Louise C.; Bacsa, John; Day, Graeme M.
• Journal of publication: Soft Matter
• Year of publication: 2010
• Journal volume: 6
• Journal issue: 17
• Pages of publication: 4144
• a: 9.872 ± 0.005 Å
• b: 4.921 ± 0.003 Å
• c: 16.859 ± 0.009 Å
• α: 90°
• β: 96.518 ± 0.009°
• γ: 90°
• Cell volume: 813.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1748
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No