Information card for entry 1548423

Structure parameters

• Formula: C45 H62 N4 O9 Si2
• Calculated formula: C45 H62 N4 O9 Si2
• SMILES: [Si](O/C=C(\C(=C/C#C[Si](C(C)C)(C(C)C)C(C)C)N1CCC(OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)CC1)CN1C(=O)c2ccccc2C1=O)(C(C)C)(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: 10.9419 ± 0.0001 Å
• b: 13.4756 ± 0.0002 Å
• c: 18.147 ± 0.0012 Å
• α: 83.987 ± 0.006°
• β: 80.786 ± 0.006°
• γ: 68.014 ± 0.005°
• Cell volume: 2446.21 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No