Information card for entry 7117625

Structure parameters

• Formula: C20 H36 N4 P2
• Calculated formula: C20 H38 N4 P2
• Title of publication: A 1,2,4-diazaphospholyl radical and its nitrogen-phosphorus coupled dimer: synthesis, X-ray structural characterization, EPR analysis, and computational studies.
• Authors of publication: Su, Jing; Wang, Bingqiang; Liu, Dongling; Du, Libo; Liu, Yang; Su, Jihu; Zheng, Wenjun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 63
• Pages of publication: 12680 - 12683
• a: 9.2644 ± 0.0008 Å
• b: 14.3849 ± 0.0012 Å
• c: 17.7198 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2361.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No