Information card for entry 1518617

Structure parameters

• Formula: C37 H36 Cl2 N4 O8 S2
• Calculated formula: C37 H36 Cl2 N4 O8 S2
• SMILES: ClCCl.S(=O)(=O)(N1[C@H]2Nc3ccccc3[C@@]2([C@@]23[C@@H](N(S(=O)(=O)c4ccccc4)[C@@H](C2)C(=O)OC)Nc2c3cccc2)C[C@H]1C(=O)OC)c1ccccc1
• Title of publication: Copper-Mediated Dimerization to Access 3a,3a'-Bispyrrolidinoindoline: Diastereoselective Synthesis of (+)-WIN 64821 and (-)-Ditryptophenaline.
• Authors of publication: Liang, Kangjiang; Deng, Xu; Tong, Xiaogang; Li, Dashan; Ding, Ming; Zhou, Ankun; Xia, Chengfeng
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 206 - 209
• a: 12.9116 ± 0.0006 Å
• b: 15.1292 ± 0.0007 Å
• c: 18.7417 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3661 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No