Information card for entry 7110504

Structure parameters

• Chemical name: 1,2,3-Tri-tert.butyl-1,3-2,4-diazaphosphaaluminetidine- trimethylamino-donor
• Formula: C15 H37 Al N3 P
• Calculated formula: C15 H37 Al N3 P
• SMILES: P1(N(C(C)(C)C)[AlH](N1C(C)(C)C)[N](C)(C)C)C(C)(C)C
• Title of publication: Synthesis and X-ray structure of the first 1,3,2,4-diazaphosphaaluminetidine
• Authors of publication: Schulz, Stephan; Bauer, Tillmann; Nieger, Martin
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 879
• a: 12.8335 ± 0.0004 Å
• b: 16.7315 ± 0.0005 Å
• c: 18.65 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4004.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No