Information card for entry 7161206

Structure parameters

• Formula: C21 H14 N2 O3 S
• Calculated formula: C21 H14 N2 O3 S
• Title of publication: Photo-induced thio/selenocyanation-annulation-rearrangement of indole-tethered 1,6-enynes.
• Authors of publication: Wang, Xueli; Li, Lijun; Yan, Qinqin; Wang, Zhenyi; Liu, Zexuan; Chen, Jingyi; Liu, Zhong-Quan; Li, Zejiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 19
• Pages of publication: 4016 - 4021
• a: 15.719 ± 0.004 Å
• b: 10.479 ± 0.003 Å
• c: 21.491 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3540 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No