Information card for entry 4029756

Structure parameters

• Formula: C24 H23 Au I N3 O3
• Calculated formula: C24 H23 Au I N3 O3
• SMILES: [Au](I)=C1N(c2ccccc2N1c1cccc(OC)c1c1c(OC)cccc1NC(=O)C)C
• Title of publication: Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis.
• Authors of publication: Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2011
• Journal volume: 7
• Pages of publication: 555 - 564
• a: 9.2786 ± 0.0007 Å
• b: 25.5371 ± 0.0019 Å
• c: 10.1633 ± 0.0007 Å
• α: 90°
• β: 104.948 ± 0.001°
• γ: 90°
• Cell volume: 2326.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No