Information card for entry 2210577

Structure parameters

• Chemical name: (3S,8S)-3,8-Diisopropyl-1,6-dioxa-4,9-diaza-5λ^5^- phosphaspiro[4.4]nonane-2,7-dione
• Formula: C10 H19 N2 O4 P
• Calculated formula: C10 H19 N2 O4 P
• SMILES: P12(OC(=O)[C@@H](N1)C(C)C)OC(=O)[C@@H](N2)C(C)C
• Title of publication: (3<i>S</i>,8<i>S</i>)-3,8-Diisopropyl-1,6-dioxa-4,9-diaza-5λ^5^-phosphaspiro[4.4]nonane-2,7-dione
• Authors of publication: Cao, Shu-Xia; Liu, Jin-Ming; Xie Ya-Li; Liao, Xin-Cheng; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4642 - o4643
• a: 10.3925 ± 0.0017 Å
• b: 6.0362 ± 0.001 Å
• c: 11.2115 ± 0.0019 Å
• α: 90°
• β: 103.413 ± 0.002°
• γ: 90°
• Cell volume: 684.1 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes