Information card for entry 7121853

Structure parameters

• Formula: C17 H21 Br Cl N2 O Rh
• Calculated formula: C17 H21 Br Cl N2 O Rh
• Title of publication: Rhodium-catalyzed oxidative C-H/C-H cross-coupling of aniline with heteroarene: N-nitroso group enabled mild conditions.
• Authors of publication: He, Shuang; Tan, Guangying; Luo, Anping; You, Jingsong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 56
• Pages of publication: 7794 - 7797
• a: 15.4304 ± 0.0005 Å
• b: 14.9823 ± 0.0004 Å
• c: 16.4747 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3808.7 ± 0.2 ų
• Cell temperature: 295.4 ± 0.2 K
• Ambient diffraction temperature: 295.4 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No