Information card for entry 4033193

Structure parameters

• Formula: C25 H24 Cl N O2 S
• Calculated formula: C25 H24 Cl N O2 S
• SMILES: Cl/C(=C\1[C@@](CN(S(=O)(=O)c2ccc(cc2)C)C1)(C)c1ccccc1)c1ccccc1
• Title of publication: Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.
• Authors of publication: Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 24
• Pages of publication: 13093 - 13108
• a: 6.3211 ± 0.0002 Å
• b: 8.5298 ± 0.0002 Å
• c: 20.3965 ± 0.0008 Å
• α: 90°
• β: 90.395 ± 0.001°
• γ: 90°
• Cell volume: 1099.71 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No