Information card for entry 2214989

Structure parameters

• Chemical name: (R)-Dimethyl [(2-chlorophenyl)hydroxymethyl]phosphonate
• Formula: C9 H12 Cl O4 P
• Calculated formula: C9 H12 Cl O4 P
• SMILES: Clc1c(cccc1)[C@@H](P(=O)(OC)OC)O
• Title of publication: (<i>R</i>)-Dimethyl [(2-chlorophenyl)hydroxymethyl]phosphonate
• Authors of publication: Tahir, M. Nawaz; Nurcan Acar; Hamza Yilmaz; Muhammad Danish; Ülkü, Dinçer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3817 - o3818
• a: 7.567 ± 0.0012 Å
• b: 7.923 ± 0.0013 Å
• c: 19.042 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1141.6 ± 0.3 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 1.102
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes