Information card for entry 1556048

Structure parameters

• Formula: C22 H24 Cl N2 O Rh
• Calculated formula: C22 H24 Cl N2 O Rh
• SMILES: [Rh]12345([N](=N(=O)c6c1cccc6)c1ccccc1)(Cl)[c]1([c]5([c]2([c]4([c]31C)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: 7.58618 ± 0.00009 Å
• b: 16.9757 ± 0.0002 Å
• c: 15.6843 ± 0.0002 Å
• α: 90°
• β: 93.0656 ± 0.0011°
• γ: 90°
• Cell volume: 2016.94 ± 0.04 ų
• Cell temperature: 294.39 ± 0.1 K
• Ambient diffraction temperature: 294.39 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No