Information card for entry 4038835

Structure parameters

• Formula: C29 H36 N2 O5 Si
• Calculated formula: C29 H36 N2 O5 Si
• SMILES: [Si](O[C@@H]1[C@H](N2[C@H](C(=C(OC2=O)N2CCOC2=O)c2ccccc2)C1)c1ccc(C)cc1)(C)(C(C)(C)C)C.[Si](O[C@H]1[C@@H](N2[C@@H](C(=C(OC2=O)N2CCOC2=O)c2ccccc2)C1)c1ccc(C)cc1)(C)(C(C)(C)C)C
• Title of publication: Gold-Catalyzed Addition-<i>N</i>-Boc Cleavage-Cyclization of <i>N</i>,<i>O</i>-Acetal with Ynamides for Construction of 6-(<i>tert</i>-Butyldimethylsilyl)oxy-tetrahydropyrrolo[1,2-<i>c</i>][1,3]oxazin-1-ones.
• Authors of publication: Zhang, Yan-Xue; Chen, Ling-Yan; Sun, Jian-Ting; Si, Chang-Mei; Wei, Bang-Guo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 19
• Pages of publication: 12603 - 12613
• a: 10.2581 ± 0.0006 Å
• b: 11.4654 ± 0.0008 Å
• c: 14.5949 ± 0.0009 Å
• α: 70.423 ± 0.002°
• β: 85.801 ± 0.002°
• γ: 75.155 ± 0.002°
• Cell volume: 1563.19 ± 0.17 ų
• Cell temperature: 157 ± 2 K
• Ambient diffraction temperature: 157 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No