Information card for entry 4517733

Structure parameters

• Formula: C24 H18 Cl2 O
• Calculated formula: C24 H18 Cl2 O
• SMILES: ClC1(Cl)c2ccccc2[C@]2(O[C@@]1(C(=C2)c1ccccc1)c1ccccc1)C.ClC1(Cl)c2ccccc2[C@@]2(O[C@]1(C(=C2)c1ccccc1)c1ccccc1)C
• Title of publication: Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?
• Authors of publication: Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 6682 - 6690
• a: 11.6275 ± 0.0014 Å
• b: 12.6651 ± 0.0016 Å
• c: 15.1706 ± 0.0019 Å
• α: 113.103 ± 0.002°
• β: 103.226 ± 0.003°
• γ: 99.082 ± 0.003°
• Cell volume: 1922.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No