Information card for entry 2209027

Structure parameters

• Chemical name: Diphenyl (hydroxyphenylmethyl)phosphonate
• Formula: C19 H17 O4 P
• Calculated formula: C19 H17 O4 P
• SMILES: P(=O)(C(O)c1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Diphenyl (hydroxyphenylmethyl)phosphonate
• Authors of publication: Fang, Mei-Juan; Fang, Hua; Zeng, Zhi-Ping; Luo, Shu-Na; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1998 - o1999
• a: 10.349 ± 0.003 Å
• b: 7.881 ± 0.002 Å
• c: 20.362 ± 0.006 Å
• α: 90°
• β: 102.075 ± 0.005°
• γ: 90°
• Cell volume: 1624 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes