Information card for entry 7248078

Structure parameters

• Formula: C18 H20 N2 O2
• Calculated formula: C18 H20 N2 O2
• SMILES: O[C@H](Cc1[nH]c2c(c1Nc1ccccc1)cccc2)[C@@H](O)C
• Title of publication: Synthesis of 3-arylamino-2-polyhydroxyalkyl-substituted indoles from unprotected saccharides and anilines
• Authors of publication: Wu, Jilai; Zhou, Likai; Xie, Song; Wei, Chao; Li, Xiaoliu; Chen, Hua
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 1883 - 1888
• a: 5.4476 ± 0.0004 Å
• b: 9.339 ± 0.0008 Å
• c: 15.3977 ± 0.0012 Å
• α: 75.371 ± 0.003°
• β: 87.564 ± 0.002°
• γ: 85.468 ± 0.003°
• Cell volume: 755.39 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No