Information card for entry 4312964

Structure parameters

• Formula: C15 H25 N4 O2 P S
• Calculated formula: C15 H25 N4 O2 P S
• SMILES: S(=O)(=O)(N=P12N(C)CC(CN1C)(CN2C)C)c1ccc(cc1)C
• Title of publication: Reactions of Tris(amino)phosphines with Arylsulfonyl Azides: Product Dependency on Tris(amino)phosphine Structure
• Authors of publication: Natesan Thirupathi; Xiaodong Liu; John G. Verkade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 389 - 397
• a: 12.671 ± 0.0006 Å
• b: 10.6922 ± 0.0005 Å
• c: 13.3279 ± 0.0007 Å
• α: 90°
• β: 105.35 ± 0.001°
• γ: 90°
• Cell volume: 1741.26 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No