Information card for entry 1573079

Structure parameters

• Common name: Tris(4-chlorophenyl) phosphate
• Chemical name: Tris(4-chlorophenyl) phosphate
• Formula: C18 H12 Cl3 O4 P
• Calculated formula: C18 H12 Cl3 O4 P
• Title of publication: Tris(4-chlorophenyl) phosphate
• Authors of publication: Birch, Joshua; Hosten, Eric Cyriel; Betz, Richard
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 11
• a: 7.5771 ± 0.0005 Å
• b: 21.128 ± 0.0014 Å
• c: 11.2665 ± 0.0007 Å
• α: 90°
• β: 95.835 ± 0.002°
• γ: 90°
• Cell volume: 1794.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No