Information card for entry 2228269

Structure parameters

• Chemical name: Diethyl [4-(1,3-benzothiazol-2-yl)benzyl]phosphonate
• Formula: C18 H20 N O3 P S
• Calculated formula: C18 H20 N O3 P S
• Title of publication: Diethyl [4-(1,3-benzothiazol-2-yl)benzyl]phosphonate
• Authors of publication: Peng, Rong; Li, Huisheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3236
• a: 11.0441 ± 0.0019 Å
• b: 8.0927 ± 0.0014 Å
• c: 20.933 ± 0.004 Å
• α: 90°
• β: 94.943 ± 0.003°
• γ: 90°
• Cell volume: 1864 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes