Information card for entry 7121899

Structure parameters

• Formula: C27 H36 Cl N2 O3 Rh
• Calculated formula: C27 H36 Cl N2 O3 Rh
• Title of publication: Directed ortho C-H borylation catalyzed using Cp*Rh(iii)-NHC complexes.
• Authors of publication: Thongpaen, Jompol; E Schmid, Thibault; Toupet, Loic; Dorcet, Vincent; Mauduit, Marc; Baslé, Olivier
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 59
• Pages of publication: 8202 - 8205
• a: 9.8757 ± 0.0004 Å
• b: 15.8497 ± 0.0005 Å
• c: 17.3332 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2713.11 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No