Information card for entry 2310004

Structure parameters

• Common name: D,L-Serine
• Chemical name: (±) 2-Amino-3-hydroxypropionic acid
• Formula: C3 H7 N O3
• Calculated formula: C3 H7 N O3
• SMILES: C(=O)(C(CO)[NH3+])[O-]
• Title of publication: Experimental dynamic electron densities of multipole models at different temperatures
• Authors of publication: Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander
• Journal of publication: Acta Crystallographica Section A
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: 568 - 581
• a: 10.7621 ± 0.001 Å
• b: 9.1771 ± 0.0009 Å
• c: 4.7883 ± 0.0005 Å
• α: 90°
• β: 106.76 ± 0.02°
• γ: 90°
• Cell volume: 452.83 ± 0.09 ų
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for all reflections included in the refinement: 0.022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No