Information card for entry 7216049

Structure parameters

• Formula: C3 H7 N O2
• Calculated formula: C3 H7 N O2
• SMILES: [O-]C(=O)[C@@H]([NH3+])C
• Title of publication: Single crystal structure analysis via magnetically oriented microcrystal arrays
• Authors of publication: Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 6630
• a: 5.7837 ± 0.0003 Å
• b: 6.0328 ± 0.0003 Å
• c: 12.3406 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 430.59 ± 0.04 ų
• Cell temperature: 293.1 K
• Ambient diffraction temperature: 293.1 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 significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No