Information card for entry 7128657

Structure parameters

• Formula: C21 H23 N O
• Calculated formula: C21 H23 N O
• SMILES: O=C1N(C[C@@]2([C@]1(Cc1c(C2)ccc(c1)C)C)C)c1ccccc1.O=C1N(C[C@]2([C@@]1(Cc1c(C2)ccc(c1)C)C)C)c1ccccc1
• Title of publication: Sulfonyl radical triggered selective iodosulfonylation and bicyclization of 1,6-dienes.
• Authors of publication: Wu, Shi-Ping; Wang, Dong-Kai; Kang, Qing-Qing; Ge, Guo-Ping; Zheng, Hongxing; Zhu, Meiling; Li, Ting; Zhang, Jun-Qi; Wei, Wen-Ting
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 67
• Pages of publication: 8288 - 8291
• a: 6.747 ± 0.002 Å
• b: 9.863 ± 0.003 Å
• c: 25.692 ± 0.007 Å
• α: 90°
• β: 95.475 ± 0.009°
• γ: 90°
• Cell volume: 1701.9 ± 0.9 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No