Information card for entry 2239860

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine
• Formula: C18 H35 N3 P2
• Calculated formula: C18 H35 N3 P2
• SMILES: P(Nc1nc(NP(C(C)C)C(C)C)cc(c1)C)(C(C)C)C(C)C
• Title of publication: Crystal structure of <i>N</i>,<i>N</i>'-bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine
• Authors of publication: Stöger, Berthold; Weil, Matthias; Bichler, Bernhard; Eder, Wolfgang; Kirchner, Karl
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o889 - o890
• a: 14.3394 ± 0.0012 Å
• b: 10.0089 ± 0.0016 Å
• c: 29.562 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4242.8 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes