Information card for entry 1505649

Structure parameters

• Formula: C10 H12 N O S
• Calculated formula: C10 H12 N O S
• SMILES: S1(=O)Nc2c([C@H](C1)CC)cccc2
• Title of publication: A stereospecific synthesis of chiral cyclic sulfinamides.
• Authors of publication: Harmata, Michael; Zheng, Pinguan
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 25
• Pages of publication: 5251 - 5253
• a: 5.3752 ± 0.0004 Å
• b: 8.487 ± 0.0006 Å
• c: 21.9878 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1003.07 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.031
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No