Information card for entry 7127074

Structure parameters

• Formula: C30 H31 Cl N3 Rh
• Calculated formula: C30 H31 Cl N3 Rh
• SMILES: [Rh]12345(c6ccccc6C(N)=[N]5c5ccccc5)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)Cl.C(#N)c1ccccc1
• Title of publication: Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.
• Authors of publication: Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 76
• Pages of publication: 11227 - 11230
• a: 30.7434 ± 0.0011 Å
• b: 9.7093 ± 0.0004 Å
• c: 22.2459 ± 0.0007 Å
• α: 90°
• β: 126.426 ± 0.003°
• γ: 90°
• Cell volume: 5343 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.3161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No