Information card for entry 7202362

Structure parameters

• Common name: Serine Monohydrate
• Formula: C3 H9 N O4
• Calculated formula: C3 H9 N O4
• SMILES: [O-]C(=O)[C@@H]([NH3+])CO.O
• Title of publication: High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation
• Authors of publication: Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1758
• a: 9.8778 ± 0.0013 Å
• b: 10.155 ± 0.004 Å
• c: 4.4175 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 443.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 5200000 kPa
• 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: 0.1128
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 0.4865 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No