Information card for entry 2224649

Structure parameters

• Chemical name: Bis(propan-2-yl) [(2<i>S</i>,3<i>S</i>)-2-hydroxy-3-nitrobutan-2-yl]phosphonate
• Formula: C10 H22 N O6 P
• Calculated formula: C10 H22 N O6 P
• SMILES: P(=O)(OC(C)C)(OC(C)C)[C@](O)([C@@H](N(=O)=O)C)C
• Title of publication: Bis(propan-2-yl) [(2<i>S</i>,3<i>S</i>)-2-hydroxy-3-nitrobutan-2-yl]phosphonate
• Authors of publication: Mandal, Tanmay; Samanta, Sampak; Broker, Grant A.; Zhao, Cong-Gui; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o98
• a: 7.862 ± 0.0016 Å
• b: 11.369 ± 0.002 Å
• c: 16.92 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1512.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.041
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes