Information card for entry 7104280

Structure parameters

• Formula: C40 H48 N4 P2
• Calculated formula: C40 H48 N4 P2
• SMILES: N1(P(N(C=C1)c1c(cc(cc1C)C)C)P1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C
• Title of publication: Formation of a new class of 7pi radicals via sterically induced P-P bond cleavage of the dimers [(CH)2(NR)2P]2.
• Authors of publication: Edge, Ruth; Less, Robert J; McInnes, Eric J L; Müther, Kristine; Naseri, Vesal; Rawson, Jeremy M; Wright, Dominic S
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 1691 - 1693
• a: 8.6059 ± 0.0003 Å
• b: 10.2485 ± 0.0004 Å
• c: 10.8287 ± 0.0004 Å
• α: 85.8725 ± 0.0016°
• β: 74.5382 ± 0.0017°
• γ: 73.0208 ± 0.0014°
• Cell volume: 880.36 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.107
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No