Information card for entry 2204230

Structure parameters

• Chemical name: tris(3-nitrophenyl)phosphine oxide
• Formula: C18 H12 N3 O7 P
• Calculated formula: C18 H12 N3 O7 P
• SMILES: P(=O)(c1cc(N(=O)=O)ccc1)(c1cc(N(=O)=O)ccc1)c1cc(N(=O)=O)ccc1
• Title of publication: Tris(3-nitrophenyl)phosphine oxide
• Authors of publication: Jean-Noël, Gregory; Fronczek, Frank R.; Isovitsch, Ralph
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1646 - o1647
• a: 19.1402 ± 0.0009 Å
• b: 5.4608 ± 0.0002 Å
• c: 16.8888 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1765.23 ± 0.13 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes