Information card for entry 2209874

Structure parameters

• Chemical name: Ethyl 5-(triphenylphosphoranylidene)-1,2,3-thiadiazole-4-carboxylate
• Formula: C23 H20 N3 O2 P S
• Calculated formula: C23 H20 N3 O2 P S
• Title of publication: Ethyl 5-(triphenylphosphoranylidene)-1,2,3-thiadiazole-4-carboxylate
• Authors of publication: Ming-Guo Liu; Yang-Gen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3206 - o3208
• a: 10.4544 ± 0.0007 Å
• b: 15.8511 ± 0.001 Å
• c: 13.2195 ± 0.0009 Å
• α: 90°
• β: 94.377 ± 0.001°
• γ: 90°
• Cell volume: 2184.3 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes