Information card for entry 4081800

Structure parameters

• Formula: C20 H28 B P
• Calculated formula: C20 H28 B P
• SMILES: [PH]([BH]1c2c(cccc2)c2c1cccc2)(C(C)(C)C)C(C)(C)C
• Title of publication: Reactivity of Phosphaboradibenzofulvene toward Hydrogen, Acetonitrile, Benzophenone, and 2,3-Dimethylbutadiene
• Authors of publication: Breunig, Jens Michael; Hübner, Alexander; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6792
• a: 10.3141 ± 0.0005 Å
• b: 10.1097 ± 0.0006 Å
• c: 18.1282 ± 0.0008 Å
• α: 90°
• β: 98.919 ± 0.004°
• γ: 90°
• Cell volume: 1867.42 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No