Information card for entry 1543823

Structure parameters

• Formula: C17 H22 Cl N2 Rh
• Calculated formula: C17 H22 Cl N2 Rh
• SMILES: [Rh]12345(Cl)(=NN(c6c5cccc6)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.
• Authors of publication: Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2427 - 2430
• a: 8.3882 ± 0.0003 Å
• b: 14.1471 ± 0.0004 Å
• c: 14.5826 ± 0.0005 Å
• α: 84.405 ± 0.003°
• β: 81.153 ± 0.003°
• γ: 84.229 ± 0.003°
• Cell volume: 1695.31 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No