Information card for entry 4312962

Structure parameters

• Formula: C16 H29 N7 O3.5 P S
• Calculated formula: C16 H29 N7 O3.5 P S
• SMILES: S(=O)(=O)([O-])c1ccc(cc1)C.P123(N(C)CC[N+]3(CCN1C)CCN2C)N=N#N.O
• 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: 10.7246 ± 0.0005 Å
• b: 13.0474 ± 0.0006 Å
• c: 15.5374 ± 0.0007 Å
• α: 73.3363 ± 0.001°
• β: 84.5807 ± 0.001°
• γ: 85.4542 ± 0.001°
• Cell volume: 2070.4 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No