Information card for entry 2211701

Structure parameters

• Chemical name: O,O-Diethyl [({1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4- yl}carbonyloxy)phenylmethyl]phosphonate
• Formula: C19 H22 Cl N4 O5 P S
• Calculated formula: C19 H22 Cl N4 O5 P S
• Title of publication: <i>O</i>,<i>O</i>-Diethyl [({1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl}carbonyloxy)phenylmethyl]phosphonate
• Authors of publication: Xiao-Bao Chen; De-Qing Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o158 - o160
• a: 8.7691 ± 0.0012 Å
• b: 9.3196 ± 0.0013 Å
• c: 14.389 ± 0.002 Å
• α: 97.715 ± 0.002°
• β: 94.826 ± 0.002°
• γ: 92.492 ± 0.002°
• Cell volume: 1159.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes