Information card for entry 1556047

Structure parameters

• Formula: C19 H26 Cl N2 O Rh
• Calculated formula: C19 H26 Cl N2 O Rh
• SMILES: [Rh]12345(Cl)([N](=N(=O)c6c1cccc6)C(C)C)[c]1([c]2([c]4([c]3([c]51C)C)C)C)C
• Title of publication: Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles.
• Authors of publication: Long, Zhen; Yang, Yudong; You, Jingsong
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2781 - 2784
• a: 8.0471 ± 0.0004 Å
• b: 16.3426 ± 0.0008 Å
• c: 29.6614 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3900.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1071
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2634
• Weighted residual factors for all reflections included in the refinement: 0.2881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No