Information card for entry 7107965

Structure parameters

• Common name: GU1188
• Formula: C21 H18 Cl4 N O3 Rh
• Calculated formula: C21 H18 Cl4 N O3 Rh
• SMILES: [Rh](Cl)(c1[n+](c(oc1c1ccccc1)c1ccccc1)C(C)C)(C#[O])C#[O].C(Cl)(Cl)Cl
• Title of publication: Ynamides: stable ligand equivalents of unstable oxazol-4-ylidenes (novel mesoionic carbenes)
• Authors of publication: Gael Ung; Daniel Mendoza-Espinosa; Guy Bertrand
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7088
• a: 14.7427 ± 0.0009 Å
• b: 19.1083 ± 0.0012 Å
• c: 8.234 ± 0.0005 Å
• α: 90°
• β: 91.668 ± 0.002°
• γ: 90°
• Cell volume: 2318.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No