Information card for entry 2209223

Structure parameters

• Chemical name: Ethyl 5-(triphenylphosphoranylideneamino)-1H-1,2,3-triazole-4-carboxylate
• Formula: C29 H25 N4 O2 P
• Calculated formula: C29 H25 N4 O2 P
• Title of publication: Ethyl 5-(triphenylphosphoranylideneamino)-1<i>H</i>-1,2,3-triazole-4-carboxylate
• Authors of publication: Ming-Guo Liu; Quan-Bin Liao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2214 - o2215
• a: 9.2719 ± 0.0009 Å
• b: 10.1752 ± 0.0009 Å
• c: 14.3413 ± 0.0013 Å
• α: 83.58 ± 0.001°
• β: 89.418 ± 0.002°
• γ: 73.251 ± 0.002°
• Cell volume: 1287.1 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes