Information card for entry 7123120

Structure parameters

• Formula: C29 H23 I N2 O2 S
• Calculated formula: C29 H23 I N2 O2 S
• Title of publication: Base-Mediated Regioselective [3+2] Annulation of Ketenimines and Isocyanides: Efficient Synthesis of 1,4,5-Trisubstituted lmidazoles
• Authors of publication: Cai, Jinxiong; Bai, Haijie; Wang, Yuan; Xu, Xianxiu; Xie, Haiming; Liu, Jun
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.861 ± 0.007 Å
• b: 15.356 ± 0.009 Å
• c: 13.575 ± 0.007 Å
• α: 90°
• β: 107.411 ± 0.015°
• γ: 90°
• Cell volume: 2558 ± 2 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 ± 2 K
• Number of distinct elements: 6
• 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: 0.0974
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No