Information card for entry 7113061

Structure parameters

• Formula: C33 H38 Au Cl N2
• Calculated formula: C33 H38 Au Cl N2
• SMILES: [Au](Cl)=C1N(C(=C2N1[C@H](Cc1ccccc21)CC(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Isoquinoline-based chiral monodentate N-heterocyclic carbenes.
• Authors of publication: Hirsch-Weil, Dimitri; Abboud, Khalil A.; Hong, Sukwon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 40
• Pages of publication: 7525 - 7527
• a: 12.074 ± 0.005 Å
• b: 11.168 ± 0.005 Å
• c: 22.31 ± 0.008 Å
• α: 90°
• β: 93.82 ± 0.01°
• γ: 90°
• Cell volume: 3002 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No