Information card for entry 7111545

Structure parameters

• Formula: C21 H25 Cl N2 O
• Calculated formula: C21 H25 Cl N2 O
• Title of publication: Imidazol-2-ylidene-4-olate: an anionic N-heterocyclic carbene pre-programmed for further derivatization
• Authors of publication: Benhamou, Laure; César, Vincent; Gornitzka, Heinz; Lugan, Noël; Lavigne, Guy
• Journal of publication: Chemical Communications
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 4720 - 4722
• a: 8.5416 ± 0.0003 Å
• b: 29.645 ± 0.001 Å
• c: 8.7375 ± 0.0003 Å
• α: 90°
• β: 118.109 ± 0.002°
• γ: 90°
• Cell volume: 1951.52 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No