Information card for entry 2214507

Structure parameters

• Chemical name: 1,1,1-Tris[(diphenylphosphoryl)methyl]propane monohydrate
• Formula: C42 H43 O4 P3
• Calculated formula: C42 H43 O4 P3
• SMILES: P(=O)(CC(CP(=O)(c1ccccc1)c1ccccc1)(CP(=O)(c1ccccc1)c1ccccc1)CC)(c1ccccc1)c1ccccc1.O
• Title of publication: 1,1,1-Tris[(diphenylphosphoryl)methyl]propane monohydrate
• Authors of publication: Grigoriev, Mikhail S.; Pisareva, Svetlana A.; Safiulina, Alfiya M.; Nifant'ev, Eduard E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3441 - o3442
• a: 9.5303 ± 0.0002 Å
• b: 10.4028 ± 0.0002 Å
• c: 18.0951 ± 0.0004 Å
• α: 90°
• β: 90.1433 ± 0.0014°
• γ: 90°
• Cell volume: 1793.98 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes