Information card for entry 2215542

Structure parameters

• Chemical name: (S)-Diethyl {(4-fluorophenyl)[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2- ylamino]methyl}phosphonate
• Formula: C20 H23 F N3 O4 P S
• Calculated formula: C20 H23 F N3 O4 P S
• Title of publication: (<i>S</i>)-Diethyl {(4-fluorophenyl)[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-ylamino]methyl}phosphonate
• Authors of publication: Wan, Rong; Han, Feng; Zhang, Jin-jun; Yin, Li-he; Wang, Jin-tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4158 - o4158
• a: 9.414 ± 0.0019 Å
• b: 10.227 ± 0.002 Å
• c: 12.923 ± 0.003 Å
• α: 110.44 ± 0.03°
• β: 98.8 ± 0.03°
• γ: 100.58 ± 0.03°
• Cell volume: 1113.7 ± 0.5 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: 0.0701
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes