Information card for entry 4122823

Structure parameters

• Formula: C32 H40 N4 P2
• Calculated formula: C32 H40 N4 P2
• SMILES: c1(ccc(cc1)N(C)C)P(c1ccc(N(C)C)cc1)P(c1ccc(cc1)N(C)C)c1ccc(N(C)C)cc1
• 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: 22.001 ± 0.003 Å
• b: 6.2497 ± 0.0017 Å
• c: 21.876 ± 0.004 Å
• α: 90°
• β: 94.39 ± 0.006°
• γ: 90°
• Cell volume: 2999.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No