Information card for entry 1502142

Structure parameters

• Formula: C21 H30 Br N2 Rh
• Calculated formula: C21 H30 Br N2 Rh
• SMILES: [Rh]123(Br)(=C4N(C(C)C)c5ccccc5N4C(C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4
• Title of publication: Rhodium(NHC)-catalyzed O-arylation of aryl bromides.
• Authors of publication: Kim, Hyun Jin; Kim, Min; Chang, Sukbok
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2368 - 2371
• a: 9.7809 ± 0.0004 Å
• b: 15.4141 ± 0.0006 Å
• c: 13.4965 ± 0.0005 Å
• α: 90°
• β: 97.714 ± 0.001°
• γ: 90°
• Cell volume: 2016.37 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0958
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No