Information card for entry 4105444

Structure parameters

• Formula: C36 H74 N2 P4
• Calculated formula: C36 H74 N2 P4
• SMILES: P(C(C)(C)C)(C(C)(C)C)/N=C1\P(C(C)(C)C)(C(C)(C)C)=NC(=C1P(C(C)(C)C)C(C)(C)C)CP(C(C)(C)C)C(C)(C)C
• Title of publication: Remarkable Product Diversity in the "Self-Organized" Reaction of Deprotonated Acetonitrile with Chlorophosphines
• Authors of publication: Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17836 - 17842
• a: 8.7518 ± 0.0004 Å
• b: 15.1375 ± 0.0005 Å
• c: 15.6376 ± 0.0007 Å
• α: 97.622 ± 0.002°
• β: 91.057 ± 0.002°
• γ: 97.509 ± 0.002°
• Cell volume: 2034.41 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No