Information card for entry 7114877

Structure parameters

• Formula: C17 H22 N2
• Calculated formula: C17 H22 N2
• SMILES: [C]1N(C=CN1CCCC=C)c1c(cc(cc1C)C)C
• Title of publication: N-Heterocyclic carbenes can coexist with alkenes and C–H acidic sites
• Authors of publication: Fürstner, Alois; Krause, Helga; Ackermann, Lutz; Lehmann, Christian W.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 2240
• a: 9.5288 ± 0.0004 Å
• b: 29.1967 ± 0.0015 Å
• c: 11.0965 ± 0.0006 Å
• α: 90°
• β: 94.419 ± 0.002°
• γ: 90°
• Cell volume: 3078 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No