Information card for entry 1520116

Structure parameters

• Formula: C28 H19 N
• Calculated formula: C28 H19 N
• SMILES: n12c3ccccc3cc1c(c(c1ccccc21)c1ccccc1)c1ccccc1
• Title of publication: Aldehyde as a Traceless Directing Group for Rh(III)-Catalyzed C-H Activation: A Facile Access to Diverse Indolo[1,2-a]quinolines.
• Authors of publication: Liu, Xingyan; Li, Xiaoyu; Liu, Hu; Guo, Qiang; Lan, Jingbo; Wang, Ruilin; You, Jingsong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 2936 - 2939
• a: 9.0455 ± 0.0019 Å
• b: 9.563 ± 0.002 Å
• c: 11.529 ± 0.002 Å
• α: 103.716 ± 0.018°
• β: 98.763 ± 0.017°
• γ: 98.986 ± 0.019°
• Cell volume: 938.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No