Information card for entry 4516955

Structure parameters

• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• SMILES: O=C1c2c(n(c3c2cccc3)C(=O)C)CC(C1)(C)C
• Title of publication: Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides.
• Authors of publication: Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 8507 - 8516
• a: 8.0644 ± 0.0009 Å
• b: 9.4449 ± 0.0011 Å
• c: 10.2338 ± 0.0012 Å
• α: 107.774 ± 0.001°
• β: 104.803 ± 0.002°
• γ: 106.592 ± 0.002°
• Cell volume: 659.32 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No