Information card for entry 7105438

Structure parameters

• Formula: C10 H17 N O5 S
• Calculated formula: C10 H17 N O5 S
• SMILES: S1(=O)(=O)OCC[C@@]2(C[C@@]2(N1)OC(=O)C)CCC.S1(=O)(=O)OCC[C@]2(C[C@]2(N1)OC(=O)C)CCC
• Title of publication: The intramolecular amination of allenes.
• Authors of publication: Feast, George C; Page, Lee W; Robertson, Jeremy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2835 - 2837
• a: 7.6562 ± 0.0002 Å
• b: 8.7683 ± 0.0002 Å
• c: 10.0293 ± 0.0002 Å
• α: 77.2922 ± 0.0012°
• β: 78.943 ± 0.0012°
• γ: 69.3572 ± 0.001°
• Cell volume: 609.79 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.036
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No