Information card for entry 7241129

Structure parameters

• Formula: C21 H18 N2 O S
• Calculated formula: C21 H18 N2 O S
• SMILES: S(c1ccc(cc1)C)c1n2c(nc1c1ccc(OC)cc1)cccc2
• Title of publication: Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade
• Authors of publication: Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 19
• Pages of publication: 6334 - 6339
• a: 11.37 ± 0.0004 Å
• b: 10.2878 ± 0.0004 Å
• c: 14.5801 ± 0.0006 Å
• α: 90°
• β: 97.519 ± 0.004°
• γ: 90°
• Cell volume: 1690.8 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No