Information card for entry 4345963

Structure parameters

• Formula: C20 H19 I2 O2 P
• Calculated formula: C20 H19 I2 O2 P
• SMILES: [I](I)[P](c1ccccc1)(c1ccccc1OC)c1c(OC)cccc1
• Title of publication: Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.
• Authors of publication: Borys, Andryj M.; Clark, Ewan R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• a: 8.76192 ± 0.00019 Å
• b: 10.48116 ± 0.00019 Å
• c: 11.422 ± 0.0003 Å
• α: 90.3592 ± 0.0017°
• β: 94.2694 ± 0.0018°
• γ: 95.4542 ± 0.0016°
• Cell volume: 1041.2 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No