Information card for entry 2239385

Structure parameters

• Chemical name: Bis[5-methoxy-2-(methoxycarbonyl)phenyl] methylphosphonate
• Formula: C19 H21 O9 P
• Calculated formula: C19 H21 O9 P
• SMILES: P(=O)(Oc1cc(OC)ccc1C(=O)OC)(Oc1cc(OC)ccc1C(=O)OC)C
• Title of publication: Bis[5-methoxy-2-(methoxycarbonyl)phenyl] methylphosphonate
• Authors of publication: Hussain, Saghir; Deli, Yang; Parveen, Shagufta; Hao, Xin; Zhu, Changjin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o269
• a: 7.852 ± 0.002 Å
• b: 10.616 ± 0.003 Å
• c: 12.2 ± 0.003 Å
• α: 70.774 ± 0.009°
• β: 77.8 ± 0.009°
• γ: 84.172 ± 0.01°
• Cell volume: 938 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes