Information card for entry 7121486

Structure parameters

• Formula: C19 H17 Br N4 O4
• Calculated formula: C19 H17 Br N4 O4
• Title of publication: A 2-(1-methylhydrazinyl)pyridine-directed C-H functionalization/spirocyclization cascade: facile access to spirosuccinimide derivatives.
• Authors of publication: Zhao, Hua; Shao, Xiaoru; Wang, Taimin; Zhai, Shengxian; Qiu, Shuxian; Tao, Cheng; Wang, Huifei; Zhai, Hongbin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 39
• Pages of publication: 4927 - 4930
• a: 18.4667 ± 0.0005 Å
• b: 8.4993 ± 0.0002 Å
• c: 12.0129 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1885.47 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No