Information card for entry 4033194

Structure parameters

• Formula: C20 H24 Cl N O3 S
• Calculated formula: C20 H24 Cl N O3 S
• SMILES: ClC[C@H]1[C@@H]([C@H](N(S(=O)(=O)c2ccc(cc2)C)C1)C)c1c(OC)cccc1.ClC[C@@H]1[C@H]([C@@H](N(S(=O)(=O)c2ccc(cc2)C)C1)C)c1c(OC)cccc1
• 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: 14.1684 ± 0.0003 Å
• b: 9.609 ± 0.0002 Å
• c: 14.3695 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1956.32 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No