Information card for entry 4079939

Structure parameters

• Formula: C36 H30 N2 O3 P2 W
• Calculated formula: C36 H30 N2 O3 P2 W
• SMILES: [W]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(C#[N]c1c(N)cccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides
• Authors of publication: Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 289
• a: 16.766 ± 0.003 Å
• b: 16.528 ± 0.003 Å
• c: 22.564 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6253 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No