Information card for entry 7213310

Structure parameters

• Formula: C30 H27 N3 O12 P4
• Calculated formula: C30 H27 N3 O12 P4
• SMILES: P12(P(P34(c5ccccc5)OC(=O)CN4CC(=O)O3)P34(c5ccccc5)OC(=O)CN4CC(=O)O3)(OC(=O)CN2CC(=O)O1)c1ccccc1
• Title of publication: The synthesis of novel trisphosphoranylphosphine and its oxide
• Authors of publication: Wang, Wenhu; Cao, Ruzhen; Liu, Lunzu
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1673
• a: 9.4387 ± 0.0011 Å
• b: 18.424 ± 0.002 Å
• c: 19.358 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3366.3 ± 0.6 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: 0.0627
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No