Information card for entry 7102408

Structure parameters

• Common name: tetrachlorobenzo-2,6-dimesitylphenyl-1,3,2-dioxophospholane
• Chemical name: tetrachlorobenzo-2,6-dimesitylphenyl-1,3,2-dioxophospholane
• Formula: C30 H25 Cl4 O2 P
• Calculated formula: C30 H25 Cl4 O2 P
• SMILES: P1(Oc2c(O1)c(Cl)c(Cl)c(Cl)c2Cl)c1c(c2c(cc(cc2C)C)C)cccc1c1c(cc(cc1C)C)C
• Title of publication: Cycloaddition of phosphanylidene-sigma4-phosphoranes ArP=PMe3 and quinones to yield 1,3,2-dioxophospholanes.
• Authors of publication: Chen, Xufang; Smith, Rhett C; Protasiewicz, John D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 2
• Pages of publication: 146 - 147
• a: 8.451 ± 0.003 Å
• b: 24.614 ± 0.008 Å
• c: 14.068 ± 0.004 Å
• α: 90°
• β: 105.55 ± 0.02°
• γ: 90°
• Cell volume: 2819.1 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.2103
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No