Information card for entry 1554560

Structure parameters

• Formula: C27 H31 N O4 Si
• Calculated formula: C27 H31 N O4 Si
• SMILES: [Si]([C@@]12c3n(c(=O)c4c(cccc4)c3)[C@H]3CC(=O)C[C@@H]1[C@]3(OC2)C)(C)(C)c1ccccc1.OC.[Si]([C@]12c3n(c(=O)c4c(cccc4)c3)[C@@H]3CC(=O)C[C@H]1[C@@]3(OC2)C)(C)(C)c1ccccc1.OC
• Title of publication: Trisannulation of benzamides and cyclohexadienone-tethered 1,1-disubstituted allenes initiated by Cp*Rh(iii)-catalyzed C‒H activation
• Authors of publication: Kong, De-Shen; Wang, Yi-Fan; Tan, Yun-Xuan; Zhang, Jun-Li; Zhang, Jian-Ge; Tian, Ping; Lin, Guo-Qiang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 699
• a: 9.9601 ± 0.0004 Å
• b: 10.6766 ± 0.0003 Å
• c: 11.8691 ± 0.0004 Å
• α: 74.393 ± 0.001°
• β: 85.571 ± 0.001°
• γ: 88.958 ± 0.001°
• Cell volume: 1211.99 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No