Information card for entry 2211704

Structure parameters

• Chemical name: O,O-Diethyl ({1-[(6-chloropyridin-3-yl)methyl]-5-methyl-1H-1,2,3-triazol-4- ylcarbonyloxy}(phenyl)methyl)phosphonate
• Formula: C21 H24 Cl N4 O5 P
• Calculated formula: C21 H24 Cl N4 O5 P
• Title of publication: <i>O</i>,<i>O</i>-Diethyl ({1-[(6-chloropyridin-3-yl)methyl]-5-methyl-1<i>H</i>-1,2,3-triazol-4-ylcarbonyloxy}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: o172 - o174
• a: 8.5297 ± 0.0008 Å
• b: 9.6214 ± 0.0009 Å
• c: 14.6389 ± 0.0014 Å
• α: 95.865 ± 0.002°
• β: 92.955 ± 0.002°
• γ: 90.536 ± 0.002°
• Cell volume: 1193.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes