Information card for entry 2215447

Structure parameters

• Chemical name: diethyl hydroxy(4-methoxyphenyl)methylphosphonate
• Formula: C12 H19 O5 P
• Calculated formula: C12 H19 O5 P
• SMILES: P(=O)(C(O)c1ccc(OC)cc1)(OCC)OCC
• Title of publication: Diethyl hydroxy(4-methoxyphenyl)methylphosphonate
• Authors of publication: Fang, Hua; Fang, Mei-Juan; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4002 - o4002
• a: 10.454 ± 0.004 Å
• b: 7.745 ± 0.003 Å
• c: 18.021 ± 0.007 Å
• α: 90°
• β: 105.228 ± 0.007°
• γ: 90°
• Cell volume: 1407.9 ± 0.9 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: 0.094
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes