Information card for entry 7114734

Structure parameters

• Formula: C25 H46 Cl N2 O5 P2 Si4 W
• Calculated formula: C25 H46 Cl N2 O5 P2 Si4 W
• SMILES: [W]([P](Cl)(N=C(P=C([Si](C)(C)C)[Si](C)(C)C)N1CCCCC1)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Strong evidence for stereoselective 1,3-additions of transient nitrilium phosphane-ylide complexes: synthesis of the first 1-aza-3-phosphabuta-1,3-diene complexes
• Authors of publication: Streubel, Rainer; Schiemann, Udo; Hoffmann, Nils; Jones, Peter G.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 1334
• a: 10.854 ± 0.002 Å
• b: 11.864 ± 0.002 Å
• c: 29.372 ± 0.004 Å
• α: 90°
• β: 94.16 ± 0.02°
• γ: 90°
• Cell volume: 3772.3 ± 1.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 8
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No