Information card for entry 7243260

Structure parameters

• Chemical name: L-Asn.H2O
• Formula: C4 H10 N2 O4
• Calculated formula: C4 H10 N2 O4
• SMILES: C(=O)([O-])[C@@H]([NH3+])CC(=O)N.O
• Title of publication: Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids
• Authors of publication: Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 32
• Pages of publication: 5456 - 5462
• a: 5.571 ± 0.002 Å
• b: 9.766 ± 0.004 Å
• c: 11.738 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 638.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No