Information card for entry 7150727

Structure parameters

• Common name: (3S, 5clambda, 8S)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5clambda5- phosphaspiro (4.4)-nonane-2,7-dione
• Chemical name: (3S, 5Λ, 8S)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5Λ5-phosphaspiro [4.4]-nonane-2,7-dione
• Formula: C18 H19 N2 O4 P
• Calculated formula: C18 H19 N2 O4 P
• SMILES: O1C(=O)[C@@H](NP21OC(=O)[C@@H](N2)Cc1ccccc1)Cc1ccccc1
• Title of publication: Chirality at phosphorus in pentacoordinate spirophosphoranes: stereochemistry by X-ray structure and spectroscopic analysis
• Authors of publication: Hou, Jian-Bo; Zhang, Hui; Guo, Jian-Nan; Liu, Yan; Xu, Peng-Xiang; Zhao, Yu-Fen; Blackburn, G. Michael
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 3020
• a: 6.0491 ± 0.0004 Å
• b: 8.3323 ± 0.0005 Å
• c: 34.349 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1731.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0698
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No