Information card for entry 2007368

Structure parameters

• Chemical name: [2,5-diméthylpyrrolidin-2-yl] phosphonate de diisopropyle
• Formula: C12 H26 N O3 P
• Calculated formula: C12 H26 N O3 P
• SMILES: [C@@]1(CC[C@@H](C)N1)(C)P(=O)(OC(C)C)OC(C)C.[C@]1(CC[C@H](C)N1)(C)P(=O)(OC(C)C)OC(C)C
• Title of publication: (2,5-Diméthylpyrrolidin-2-yl)phosphonate de Diisopropyle
• Authors of publication: Roubaud, Valerie; Siri, Didier; Tordo, Paul; Hdii, Fathia; Reboul, Jean-Pierre
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 825 - 827
• a: 10.098 ± 0.002 Å
• b: 18.902 ± 0.004 Å
• c: 16.71 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3189.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.426
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No