Information card for entry 7203787

Structure parameters

• Formula: C12 H22 N Na O6
• Calculated formula: C12 H22 N Na O6
• SMILES: [Na+].N([C@H]([C@@H](O)c1ccccc1)C)(CC(=O)[O-])C.O.O.O
• Title of publication: Strecker intermediates as non-pollutant scavengers for cyanides
• Authors of publication: Godinez-Salomon, Fernando; Hallen-Lopez, Jose M.; Höpfl, Herbert; Morales-Pacheco, Adela; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.
• Journal of publication: Green Chemistry
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 716
• a: 21.1806 ± 0.0015 Å
• b: 21.1806 ± 0.0015 Å
• c: 5.6912 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2211.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 171
• Hermann-Mauguin space group symbol: P 62
• Hall space group symbol: P 62
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No