Information card for entry 1542484

Structure parameters

• Chemical name: <i>L</i>-Methionine‒succinic acid (2/1)
• Formula: C14 H28 N2 O8 S2
• Calculated formula: C14 H28 N2 O8 S2
• SMILES: C(=O)(CCC(=O)O)O.C(=O)([C@H](CCSC)[NH3+])[O-].C(=O)([C@H](CCSC)[NH3+])[O-]
• Title of publication: <small>L</small>-Methionine‒succinic acid (2/1)
• Authors of publication: Nageshwari, M.; Kumaresan, S.; Caroline, M. Lydia; Mani, G.; Kumari, C. Rathika Thaya; Sudha, S.; Jayaprakash, P.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 1
• Pages of publication: x152459
• a: 5.0283 ± 0.0004 Å
• b: 5.058 ± 0.0004 Å
• c: 20.8394 ± 0.0018 Å
• α: 86.645 ± 0.002°
• β: 83.338 ± 0.003°
• γ: 68.908 ± 0.005°
• Cell volume: 491.08 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes