Information card for entry 2215757

Structure parameters

• Chemical name: 1,4-Bis(5,5-dimethyl-2-oxo-4-phenyl-1,3,2-dioxaphosphorinan-2-yl)piperazine
• Formula: C26 H36 N2 O6 P2
• Calculated formula: C26 H36 N2 O6 P2
• SMILES: c1(ccccc1)[C@H]1O[P@@](=O)(N2CCN([P@]3(=O)OCC([C@H](c4ccccc4)O3)(C)C)CC2)OCC1(C)C
• Title of publication: 1,4-Bis(5,5-dimethyl-2-oxo-4-phenyl-1,3,2-dioxaphosphorinan-2-yl)piperazine
• Authors of publication: Xuemei Chen; Wensheng Xiao; Ping Jiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4271 - o4271
• a: 6.4436 ± 0.0007 Å
• b: 10.4563 ± 0.0011 Å
• c: 11.5762 ± 0.0013 Å
• α: 65.68 ± 0.002°
• β: 86.755 ± 0.002°
• γ: 72.641 ± 0.002°
• Cell volume: 676.4 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes