Information card for entry 7009170

Structure parameters

• Formula: C21 H21 I4 O3 P
• Calculated formula: C21 H21 I4 O3 P
• SMILES: c1(ccc(cc1)C)O[P+](I)(Oc1ccc(cc1)C)Oc1ccc(cc1)C.I[I-]I
• Title of publication: The reaction of tertiary aryl phosphites with diiodine at ambient temperatures; structural characterisation of the tertiary phosphite tetraiodides (PhO)3PI4, (4-MeC6H4O)3PI4 and (2,4-But2C6H3O)3PI4
• Authors of publication: Godfrey, Stephen M.; McAuliffe, Charles A.; Peaker, Andrew T.; Pritchard, Robin G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 1287
• a: 10.594 ± 0.005 Å
• b: 18.425 ± 0.006 Å
• c: 28.12 ± 0.005 Å
• α: 90°
• β: 98.65 ± 0.03°
• γ: 90°
• Cell volume: 5426 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1373
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No