Information card for entry 2215576

Structure parameters

• Chemical name: Diethylammonium ethyl (4-methylanilino)phosphonate chloroform solvate
• Formula: C14 H26 Cl3 N2 O3 P
• Calculated formula: C14 H26 Cl3 N2 O3 P
• SMILES: P(=O)([O-])(OCC)Nc1ccc(cc1)C.CC[NH2+]CC.C(Cl)(Cl)Cl
• Title of publication: Diethylammonium ethyl (4-methylanilino)phosphonate chloroform solvate
• Authors of publication: Fu, Zhiyong; Yi, Jianglong; Chen, Yuan; Liao, Shijun; Guo, Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3955 - o3955
• a: 8.403 ± 0.0002 Å
• b: 12.5575 ± 0.0004 Å
• c: 19.698 ± 0.0007 Å
• α: 82.8707 ± 0.0015°
• β: 83.869 ± 0.002°
• γ: 84.9637 ± 0.0018°
• Cell volume: 2044.82 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No