Information card for entry 2100239

Structure parameters

• Chemical name: L-Serine
• Formula: C3 H7 N O3
• Calculated formula: C3 H7 N O3
• SMILES: C(=O)([C@H](CO)[NH3+])[O-]
• Title of publication: Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
• Authors of publication: Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: 58 - 68
• a: 8.3702 ± 0.001 Å
• b: 8.7699 ± 0.0019 Å
• c: 5.5103 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 404.49 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0905
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections: 0.1536
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0679
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes