Information card for entry 4072547

Structure parameters

• Formula: C30 H28 N2
• Calculated formula: C30 H28 N2
• SMILES: N1[C@H]([C@H]2N[C@@H](Cc3c2cccc3)c2ccccc2)c2c(C[C@H]1c1ccccc1)cccc2
• Title of publication: Chiral N-Heterocyclic Carbenes with Restricted Flexibility in Asymmetric Catalysis†
• Authors of publication: Baskakov, Denys; Herrmann, Wolfgang A.; Herdtweck, Eberhardt; Hoffmann, Stephan D.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 626
• a: 5.6811 ± 0.0003 Å
• b: 19.689 ± 0.0009 Å
• c: 20.2676 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2267.04 ± 0.18 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No