Information card for entry 7109548

Structure parameters

• Formula: C42 H53 Cl2 N4 O
• Calculated formula: C42 H53 Cl2 N4 O
• Title of publication: Carbonylation of the simplest persistent diaminocarbene
• Authors of publication: Tim Schulz; Christian Farber; Michael Leibold; Clemens Bruhn; Wolfgang Baumann; Detlef Selent; Timo Porsch; Max C. Holthausen; Ulrich Siemeling
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6834
• a: 11.9689 ± 0.001 Å
• b: 18.788 ± 0.002 Å
• c: 18 ± 0.0015 Å
• α: 90°
• β: 101.455 ± 0.007°
• γ: 90°
• Cell volume: 3967.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1225
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No