Information card for entry 1503251

Structure parameters

• Formula: C33 H40 Au Cl N2
• Calculated formula: C33 H40 Au Cl N2
• SMILES: [Au](Cl)=C(N(c1ccccc1)C12CC3CC(C1)CC(C2)C3)N(c1ccccc1)C12CC3CC(C1)CC(C2)C3
• Title of publication: Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis.
• Authors of publication: Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 4860 - 4863
• a: 10.5907 ± 0.0004 Å
• b: 10.5907 ± 0.0004 Å
• c: 23.7251 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2661.08 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0118
• Residual factor for significantly intense reflections: 0.0112
• Weighted residual factors for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections included in the refinement: 0.0283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No