Information card for entry 7104279

Structure parameters

• Formula: C20 H40 N4 P2
• Calculated formula: C20 H40 N4 P2
• SMILES: C1=CN(C(C)(C)C)P(N1C(C)(C)C)P1N(C=CN1C(C)(C)C)C(C)(C)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: 6.3138 ± 0.0001 Å
• b: 9.8033 ± 0.0002 Å
• c: 10.3563 ± 0.0002 Å
• α: 73.703 ± 0.0008°
• β: 72.8375 ± 0.0008°
• γ: 87.2143 ± 0.0009°
• Cell volume: 587.45 ± 0.02 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: 0.031
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No