Information card for entry 7105437

Structure parameters

• Formula: C10 H17 N O5 S
• Calculated formula: C10 H17 N O5 S
• SMILES: S1(=O)(=O)OCCC(OC(=O)C)/C(=C\C(C)C)N1
• 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: 6.5055 ± 0.0002 Å
• b: 22.4224 ± 0.0006 Å
• c: 8.9905 ± 0.0003 Å
• α: 90°
• β: 108.692 ± 0.001°
• γ: 90°
• Cell volume: 1242.26 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No