Information card for entry 4036783

Structure parameters

• Formula: C18 H42 N4 O5 Si2
• Calculated formula: C18 H42 N4 O5 Si2
• SMILES: [Si](C)(C)([C@H](CCC)NC(=O)N(C)OC)O[Si](C)(C)[C@H](CCC)NC(=O)N(C)OC
• 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: 10.0635 ± 0.0006 Å
• b: 10.0635 Å
• c: 45.865 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4022.6 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2371
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No