Information card for entry 4036784

Structure parameters

• Formula: C24 H48 N4 O6 Si2
• Calculated formula: C24 H48 N4 O6 Si2
• SMILES: [Si]([C@H](/C=C/C)NC(=O)N[C@@H](C)C(=O)OC)(C)(C)C.[Si]([C@H](/C=C/C)NC(=O)N[C@@H](C)C(=O)OC)(C)(C)C
• Title of publication: Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes.
• Authors of publication: Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 11
• Pages of publication: 4633 - 4644
• a: 10.651 ± 0.002 Å
• b: 17.148 ± 0.003 Å
• c: 18.327 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3347.3 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1972
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No