Information card for entry 7157634

Structure parameters

• Formula: C27 H23 N3 O
• Calculated formula: C27 H23 N3 O
• SMILES: O=C1C(Nc2c1cc(cc2)C)(c1c[nH]c2c1cc(cc2)C)c1c[nH]c2c1cc(cc2)C
• Title of publication: Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.
• Authors of publication: Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 32
• Pages of publication: 6247 - 6252
• a: 10.4157 ± 0.0002 Å
• b: 10.5063 ± 0.0002 Å
• c: 11.3815 ± 0.0002 Å
• α: 112.529 ± 0.0008°
• β: 108.753 ± 0.0008°
• γ: 99.9684 ± 0.0008°
• Cell volume: 1024.96 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No