Information card for entry 1553759

Structure parameters

• Formula: C23 H22 Br Cl2 N3 O5
• Calculated formula: C23 H22 Br Cl2 N3 O5
• Title of publication: Synthesis of spiropyrazoline oxindoles by a formal [4 + 1] annulation reaction between 3-bromooxindoles and in situ-derived 1,2-diaza-1,3-dienes
• Authors of publication: Chen, Dong-Zhen; Xiao, Wen-Jing; Chen, Jia-Rong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 1289
• a: 9.593 ± 0.004 Å
• b: 15.307 ± 0.007 Å
• c: 16.705 ± 0.008 Å
• α: 90°
• β: 93.785 ± 0.008°
• γ: 90°
• Cell volume: 2447.6 ± 1.9 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No