Information card for entry 1554559

Structure parameters

• Formula: C28 H36 N2 O2 Si
• Calculated formula: C28 H36 N2 O2 Si
• SMILES: [Si](c1ccccc1)([C@@]12[C@H]3N(Cc4ccccc4C3)[C@@H]3[C@](OC2)([C@H]1C[C@H](O)C3)C)(C)C.N#CC.[Si](c1ccccc1)([C@]12[C@@H]3N(Cc4ccccc4C3)[C@H]3[C@@](OC2)([C@@H]1C[C@@H](O)C3)C)(C)C.N#CC
• 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: 9.7904 ± 0.0003 Å
• b: 10.7882 ± 0.0004 Å
• c: 12.3517 ± 0.0004 Å
• α: 83.891 ± 0.001°
• β: 69.723 ± 0.001°
• γ: 84.499 ± 0.001°
• Cell volume: 1214.36 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: cukα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No