Information card for entry 4023530

Structure parameters

• Common name: iPr2P(C14H9)
• Chemical name: 9-Diisopropylphosphanylanthracene
• Formula: C20 H23 P
• Calculated formula: C20 H23 P
• SMILES: c1(c2ccccc2cc2ccccc12)P(C(C)C)C(C)C
• 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: 33.822 ± 0.004 Å
• b: 8.172 ± 0.0009 Å
• c: 12.1131 ± 0.0013 Å
• α: 90°
• β: 102.965 ± 0.001°
• γ: 90°
• Cell volume: 3262.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No