Information card for entry 4029311

Structure parameters

• Formula: C22 H18 Cl2 N2 O2
• Calculated formula: C22 H18 Cl2 N2 O2
• Title of publication: Synthesis of 3-Amino-3-hydroxymethyloxindoles and 3-Hydroxy-3-hydroxymethyloxindoles by Rh2(OAc)4-Catalyzed Three-Component Reactions of 3-Diazooxindoles with Formaldehyde and Anilines or Water.
• Authors of publication: Wang, Chengjin; Xing, Dong; Wang, Dongwei; Wu, Xiang; Hu, Wenhao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 3908 - 3916
• a: 14.8608 ± 0.0005 Å
• b: 7.7619 ± 0.0003 Å
• c: 17.4366 ± 0.0006 Å
• α: 90°
• β: 106.782 ± 0.001°
• γ: 90°
• Cell volume: 1925.62 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0622
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No