Information card for entry 1530388

Structure parameters

• Formula: C22 H22 N2 O3 S
• Calculated formula: C22 H22 N2 O3 S
• SMILES: S(=O)(=O)(N1c2n(c3ccccc3c2[C@H]2[C@@H]1OCC2)CC=C)c1ccc(cc1)C.S(=O)(=O)(N1c2n(c3ccccc3c2[C@@H]2[C@H]1OCC2)CC=C)c1ccc(cc1)C
• Title of publication: Rh-Catalyzed Reactions of 3-Diazoindolin-2-imines: Synthesis of Pyridoindoles and Tetrahydrofuropyrroloindoles.
• Authors of publication: Wang, Chen; Zhang, Haojie; Lang, Bo; Ren, Anni; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 4412 - 4415
• a: 13.4257 ± 0.0011 Å
• b: 10.9838 ± 0.0007 Å
• c: 14.5635 ± 0.0011 Å
• α: 90°
• β: 109.954 ± 0.009°
• γ: 90°
• Cell volume: 2018.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No