Information card for entry 7154519

Structure parameters

• Formula: C39 H39.5 Cl N2 O1.25
• Calculated formula: C39 H39 Cl N2 O1.25
• Title of publication: Rhodium(iii)-catalyzed cascade oxidative annulation reactions of aryl imidazolium salts with alkynes involving multiple C-H bond activation.
• Authors of publication: Ge, Qingmei; Li, Bin; Song, Haibin; Wang, Baiquan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 28
• Pages of publication: 7695 - 7710
• a: 28.643 ± 0.006 Å
• b: 11.259 ± 0.002 Å
• c: 19.703 ± 0.004 Å
• α: 90°
• β: 90.2 ± 0.03°
• γ: 90°
• Cell volume: 6354 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No