Information card for entry 7112516

Structure parameters

• Formula: C2 H5 N O2
• Calculated formula: C2 H5 N O2
• SMILES: O=C([O-])C[NH3+]
• Title of publication: Absolute chirality of the γ-polymorph of glycine: correlation of the absolute structure with the optical rotation.
• Authors of publication: Ishikawa, Kazuhiko; Tanaka, Masahito; Suzuki, Toshiya; Sekine, Akiko; Kawasaki, Tsuneomi; Soai, Kenso; Shiro, Motoo; Lahav, Meir; Asahi, Toru
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 48
• Pages of publication: 6031
• a: 7.0111 ± 0.0003 Å
• b: 7.0111 ± 0.0003 Å
• c: 5.4843 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 233.47 ± 0.02 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No