Information card for entry 4029716

Structure parameters

• Formula: C27 H21 Au I N3 O
• Calculated formula: C27 H21 Au I N3 O
• SMILES: [Au](I)=C1N(c2ccccc2N1c1c2ccccc2ccc1C1=N[C@@H](c2ccccc2)CO1)C
• Title of publication: Synthesis of axially chiral oxazoline-carbene ligands with an N-naphthyl framework and a study of their coordination with AuCl·SMe(2).
• Authors of publication: Wang, Feijun; Li, Shengke; Qu, Mingliang; Zhao, Mei-Xin; Liu, Lian-Jun; Shi, Min
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2012
• Journal volume: 8
• Pages of publication: 726 - 731
• a: 10.5893 ± 0.0006 Å
• b: 19.1221 ± 0.0011 Å
• c: 12.1578 ± 0.0007 Å
• α: 90°
• β: 100.076 ± 0.002°
• γ: 90°
• Cell volume: 2423.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0238
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No