Information card for entry 4516006

Structure parameters

• Formula: C18 H26 N2 O5
• Calculated formula: C18 H26 N2 O5
• SMILES: O=C(NC(C(=O)O)(C)C)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1
• Title of publication: Self-Healing Hydrogel from a Dipeptide and HCl Sensing.
• Authors of publication: Nandi, Sujay Kumar; Maji, Krishnendu; Haldar, Debasish
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 3744 - 3751
• a: 6.2327 ± 0.0003 Å
• b: 10.6629 ± 0.0006 Å
• c: 27.47 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1825.62 ± 0.16 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0519
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No