Information card for entry 7116285

Structure parameters

• Formula: C28 H19 N O
• Calculated formula: C28 H19 N O
• SMILES: O=C1c2c(NC31c1ccccc1C(=C3c1ccccc1)c1ccccc1)cccc2
• Title of publication: Multi-site cyclization via initial C-H activation using a rhodium(iii) catalyst: rapid assembly of frameworks containing indoles and indolines.
• Authors of publication: Huang, Ji-Rong; Qin, Liu; Zhu, Yu-Qin; Song, Qiang; Dong, Lin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 14
• Pages of publication: 2844
• a: 9.9451 ± 0.0006 Å
• b: 10.9422 ± 0.0005 Å
• c: 18.8339 ± 0.0011 Å
• α: 90°
• β: 90.772 ± 0.006°
• γ: 90°
• Cell volume: 2049.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No