Information card for entry 4315546

Structure parameters

• Formula: C4 H9 N O3
• Calculated formula: C4 H9 N O3
• SMILES: O[C@@H](CC[NH3+])C(=O)[O-]
• Title of publication: Mixed-Donor, α-Hydroxy Acid-Containing Chelates for Binding and Light-Triggered Release of Iron
• Authors of publication: Hannah Sayre; Kyle Milos; Michael J. Goldcamp; Cynthia A. Schroll; Jeanette A. Krause; Michael J. Baldwin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4433 - 4439
• a: 6.3884 ± 0.0001 Å
• b: 8.2129 ± 0.0002 Å
• c: 10.721 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 562.502 ± 0.019 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.027
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No