Information card for entry 4122824

Structure parameters

• Formula: C28 H28 P2
• Calculated formula: C28 H28 P2
• SMILES: P(c1ccc(cc1)C)(c1ccc(cc1)C)P(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Selective dehydrocoupling of phosphines by lithium chloride carbenoids.
• Authors of publication: Molitor, Sebastian; Becker, Julia; Gessner, Viktoria H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 44
• Pages of publication: 15517 - 15520
• a: 10.008 ± 0.0007 Å
• b: 9.9556 ± 0.0007 Å
• c: 12.4143 ± 0.0009 Å
• α: 90°
• β: 112.631 ± 0.002°
• γ: 90°
• Cell volume: 1141.67 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No