Information card for entry 4501604

Structure parameters

• Formula: C6 H13 N O2
• Calculated formula: C6 H13 N O2
• SMILES: [O-]C(=O)C([NH3+])CC(C)C
• Title of publication: Observation of the Preferential Enrichment Phenomenon for Essential α-Amino Acids with a Racemic Crystal Structure
• Authors of publication: Iwama, Sekai; Horiguchi, Masahiro; Sato, Hiroyasu; Uchida, Yoshiaki; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2668
• a: 13.9853 ± 0.0015 Å
• b: 5.3995 ± 0.0014 Å
• c: 5.154 ± 0.004 Å
• α: 111.471 ± 0.006°
• β: 96.76 ± 0.008°
• γ: 86.579 ± 0.007°
• Cell volume: 359.6 ± 0.3 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.2338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No