Information card for entry 4066713

Structure parameters

• Formula: C18 H17 N2 P
• Calculated formula: C18 H17 N2 P
• SMILES: P(Cc1ncccc1)(Cc1ncccc1)c1ccccc1
• Title of publication: Coordination Site SelectiveJanus HeadLigands†
• Authors of publication: Objartel, Ina; Pott, Nils A.; John, Michael; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5670
• a: 16.1084 ± 0.0012 Å
• b: 5.5316 ± 0.0004 Å
• c: 17.9425 ± 0.0014 Å
• α: 90°
• β: 111.486 ± 0.001°
• γ: 90°
• Cell volume: 1487.67 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No