Information card for entry 1546599

Structure parameters

• Formula: C21 H22 N2 O2 S
• Calculated formula: C21 H22 N2 O2 S
• SMILES: S(=O)(=O)(N1c2n(c3ccccc3c2CC(=CC1)C)C)c1ccc(cc1)C
• Title of publication: Rhodium-Catalyzed Cycloadditions between 3-Diazoindolin-2-imines and 1,3-Dienes.
• Authors of publication: Lang, Bo; Zhu, Huangtianzhi; Wang, Chen; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2017
• a: 14.3337 ± 0.0006 Å
• b: 6.8499 ± 0.0004 Å
• c: 18.7839 ± 0.0008 Å
• α: 90°
• β: 95.751 ± 0.004°
• γ: 90°
• Cell volume: 1835 ± 0.15 ų
• Cell temperature: 174.7 K
• Ambient diffraction temperature: 174.7 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: 0.0506
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No