Information card for entry 7115494

Structure parameters

• Formula: C49.2 H55.8 Cl N4 Rh
• Calculated formula: C49.2 H48.8 Cl N4 Rh
• Title of publication: Highly selective directed arylation reactions via back-to-back dehydrogenative C-H borylation/arylation reactions
• Authors of publication: Eric C. Keske; Brandon D. Moore; Olena V. Zenkina; Ruiyao Wang; Gabriele Schatte; Cathleen M. Crudden
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9883
• a: 12.5336 ± 0.001 Å
• b: 13.353 ± 0.001 Å
• c: 15.0479 ± 0.0012 Å
• α: 61.684 ± 0.001°
• β: 87.181 ± 0.001°
• γ: 79.894 ± 0.001°
• Cell volume: 2181 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No