Information card for entry 2206356

Structure parameters

• Chemical name: O,O-Bis(2-tert-butyl-4-methoxyphenyl) chlorothiophosphonate
• Formula: C22 H30 Cl O4 P S
• Calculated formula: C22 H30 Cl O4 P S
• SMILES: c1(c(cc(cc1)OC)C(C)(C)C)OP(Oc1c(cc(cc1)OC)C(C)(C)C)(=S)Cl
• Title of publication: <i>O</i>,<i>O</i>-Bis(2-<i>tert</i>-butyl-4-methoxyphenyl) chlorothiophosphonate
• Authors of publication: Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Albayrak, Çiǧdem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2528 - o2530
• a: 23.592 ± 0.003 Å
• b: 8.3111 ± 0.0006 Å
• c: 12.5067 ± 0.0014 Å
• α: 90°
• β: 105.74 ± 0.009°
• γ: 90°
• Cell volume: 2360.3 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes