Information card for entry 1548421

Structure parameters

• Formula: C26 H39 N O Si
• Calculated formula: C26 H39 N O Si
• SMILES: [Si](C(C)C)(/C=C\1C(=O)C(=C(N2CCCC2)C1)Cc1ccccc1)(C(C)C)C(C)C
• Title of publication: Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions
• Authors of publication: Xijian Li; Siyu Peng; Li Li; Yong Huang
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 6913
• a: 14.2427 ± 0.001 Å
• b: 14.0437 ± 0.0005 Å
• c: 13.5442 ± 0.0003 Å
• α: 90°
• β: 111.769 ± 0.008°
• γ: 90°
• Cell volume: 2515.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No