Information card for entry 7114606

Structure parameters

• Formula: C22 H24 Au Cl N2
• Calculated formula: C22 H24 Au Cl N2
• SMILES: [Au](Cl)=C1N([C@H]2C3([C@H](N1c1ccccc1)CCC3)CCC2)c1ccccc1.[Au](Cl)=C1N([C@@H]2C3([C@@H](N1c1ccccc1)CCC3)CCC2)c1ccccc1
• Title of publication: Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities
• Authors of publication: Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7163
• a: 19.6622 ± 0.0008 Å
• b: 10.8065 ± 0.0004 Å
• c: 19.9969 ± 0.0009 Å
• α: 90°
• β: 105.351 ± 0.004°
• γ: 90°
• Cell volume: 4097.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.33
• Weighted residual factors for all reflections included in the refinement: 0.3512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No