Information card for entry 7127383

Structure parameters

• Formula: C22 H28 Cl N2 O Rh
• Calculated formula: C22 H28 Cl N2 O Rh
• SMILES: [Rh]12345(Cl)([N](OC)=C(c6c7ccccc7n(C)c16)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: γ-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H annulation.
• Authors of publication: Jiang, Bo; Jia, Jingwen; Sun, Yufei; Wang, Yichun; Zeng, Jing; Bu, Xiubin; Shi, Liangliang; Sun, Xiaoying; Yang, Xiaobo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 87
• Pages of publication: 13389 - 13392
• a: 18.1856 ± 0.0005 Å
• b: 7.4674 ± 0.0002 Å
• c: 16.226 ± 0.0004 Å
• α: 90°
• β: 111.448 ± 0.001°
• γ: 90°
• Cell volume: 2050.89 ± 0.09 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No