Information card for entry 7026709

Structure parameters

• Common name: tert-Butyl-(1,3-di-tert-butyl-4-(2-diphenylphosphanyl phenoxy)-(1,3,2,4)diazaphosphetidin-2-yl)amine
• Chemical name: tert-Butyl-[1,3-di-tert-butyl-4-(2-diphenylphosphanyl phenoxy)-[1,3,2,4]diazaphosphetidin-2-yl)amine
• Formula: C30 H42 N3 O P3
• Calculated formula: C30 H42 N3 O P3
• SMILES: P1(NC(C)(C)C)N(P(Oc2ccccc2P(c2ccccc2)c2ccccc2)N1C(C)(C)C)C(C)(C)C
• Title of publication: Transition metal chemistry of cyclodiphosphanes containing phosphine and amide-phosphine functionalities: formation of a stable dipalladium(II) complex containing a Pd-P σ-bond.
• Authors of publication: Balakrishna, Maravanji S.; Venkateswaran, Ramalingam; Mague, Joel T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 46
• Pages of publication: 11149 - 11162
• a: 9.0386 ± 0.0004 Å
• b: 11.3565 ± 0.0004 Å
• c: 16.038 ± 0.0006 Å
• α: 74.097 ± 0.001°
• β: 87.839 ± 0.001°
• γ: 85.701 ± 0.001°
• Cell volume: 1578.54 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No