Information card for entry 4023532

Structure parameters

• Common name: SeiPr2P(C14H9)
• Chemical name: 9-Diisopropylselenophosphorylanthracene
• Formula: C20 H23 P Se
• Calculated formula: C20 H23 P Se
• SMILES: c1(c2ccccc2cc2ccccc12)P(C(C)C)(C(C)C)=[Se]
• Title of publication: Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products
• Authors of publication: Gerald Schwab; Daniel Stern; Dietmar Stalke
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5242 - 5247
• a: 11.0214 ± 0.0016 Å
• b: 14.57 ± 0.002 Å
• c: 21.206 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3405.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No