Information card for entry 7202358

Structure parameters

• Common name: Serine Monohydrate
• Formula: C3 H9 N O4
• Calculated formula: C3 H9 N O4
• SMILES: C(=O)([C@H](CO)[NH3+])[O-].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: 9.3563 ± 0.0006 Å
• b: 11.443 ± 0.002 Å
• c: 4.6166 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 494.27 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 2600000 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: 0.0517
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9923
• Diffraction radiation wavelength: 0.4865 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No