Information card for entry 7113153

Structure parameters

• Formula: C8 H16 Cl N O3
• Calculated formula: C8 H16 Cl N O3
• SMILES: C1CC[C@H]([C@H]2[C@@H]([C@@H](C[NH+]12)O)O)O.[Cl-]
• Title of publication: Application of furyl-stabilized sulfur ylides to a concise synthesis of 8a-epi-swainsonine
• Authors of publication: Bi, Jie; Aggarwal, Varinder K.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 120 - 122
• a: 8.3941 ± 0.0003 Å
• b: 9.4475 ± 0.0003 Å
• c: 12.0154 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 952.86 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0326
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7102765
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No