Information card for entry 2209750

Structure parameters

• Common name: Dimethoxyphosphinoyl phenyl ketone <i>p</i>-tolylsulfonylhydrazone
• Formula: C16 H19 N2 O5 P S
• Calculated formula: C16 H19 N2 O5 P S
• SMILES: S(=O)(=O)(N\N=C(P(=O)(OC)OC)/c1ccccc1)c1ccc(C)cc1
• Title of publication: Dimethoxyphosphinoyl phenyl ketone <i>p</i>-tolylsulfonylhydrazone
• Authors of publication: Demoin, Dustin Wayne; Pluth, Michael; Soo, Han Sen; Xu, Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3551 - o3552
• a: 8.4692 ± 0.0019 Å
• b: 10.889 ± 0.003 Å
• c: 9.69 ± 0.002 Å
• α: 90°
• β: 92.514 ± 0.004°
• γ: 90°
• Cell volume: 892.8 ± 0.4 ų
• Cell temperature: 166 ± 1 K
• Ambient diffraction temperature: 166 ± 1 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes