Information card for entry 7042643

Structure parameters

• Formula: C26 H30 Cl N O2
• Calculated formula: C26 H30 Cl N O2
• SMILES: c1(cc2c(cc1)N1CCOC1(C2(C)C)/C=C/c1cc(c(cc1)OC(C)C)/C=C/C)Cl
• Title of publication: A pH-controlled Recyclable Indolinooxazolidine Tagged N-heterocyclic Carbene Ru Catalyst for Olefin Metathesis
• Authors of publication: Duan, Yu Lian; Wang, Tao; Xie, Qingxiao; Yu, Xiaobo; Guo, Weijie; Wu, Shutao; Li, Danfeng; Wang, Jianhui; Liu, Guiyan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 17.3687 ± 0.0019 Å
• b: 17.0036 ± 0.0016 Å
• c: 8.098 ± 0.0009 Å
• α: 90°
• β: 100.326 ± 0.006°
• γ: 90°
• Cell volume: 2352.9 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No