Information card for entry 2210372

Structure parameters

• Common name: C~19~H~16~Cl~2~NO~5~P
• Chemical name: Dimethyl [(3,7-dichloroquinolin-8-ylcarbonyloxy)(phenyl)methyl]phosphonate
• Formula: C19 H16 Cl2 N O5 P
• Calculated formula: C19 H16 Cl2 N O5 P
• SMILES: c1c(cc2ccc(c(c2n1)C(=O)OC(c1ccccc1)P(=O)(OC)OC)Cl)Cl
• Title of publication: Dimethyl [(3,7-dichloroquinolin-8-ylcarbonyloxy)(phenyl)methyl]phosphonate
• Authors of publication: Liang, Ying; He, Hong-Wu; Wang, Ya-Zhou; Chen, Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3652 - o3654
• a: 11.4895 ± 0.0008 Å
• b: 15.7158 ± 0.0011 Å
• c: 22.1792 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4004.8 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1305
• 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