Information card for entry 7121898

Structure parameters

• Formula: C28 H40 Cl N2 O3 Rh
• Calculated formula: C28 H40 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: 10.0564 ± 0.0001 Å
• b: 15.7574 ± 0.0001 Å
• c: 17.1733 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2721.33 ± 0.04 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: 0.0211
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No