Information card for entry 4127881

Structure parameters

• Formula: C18 H23 Cl N O Rh
• Calculated formula: C18 H23 Cl N O Rh
• SMILES: [Rh]12345(Cl)([NH]=C(OC)c6c1cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).
• Authors of publication: Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 43
• Pages of publication: 17198 - 17206
• a: 10.1827 ± 0.0005 Å
• b: 14.0724 ± 0.0009 Å
• c: 14.7798 ± 0.001 Å
• α: 62.265 ± 0.002°
• β: 71.938 ± 0.002°
• γ: 84.034 ± 0.002°
• Cell volume: 1780.12 ± 0.19 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0159
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No