Information card for entry 7133165

Structure parameters

• Formula: C19 H22 N O4
• Calculated formula: C18 H22 N2 O4
• Title of publication: Dearomative pyrrole (3+2) reaction with geminal bromonitroalkane: synthesis of 2,3-dihydropyrroles.
• Authors of publication: Shi, Lin; Liu, Lidong; Lei, Xingyu; Wang, Yihan; Fang, Yeguang; Jiao, Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 54
• Pages of publication: 6953 - 6956
• a: 15.1005 ± 0.0018 Å
• b: 9.909 ± 0.001 Å
• c: 11.5159 ± 0.0015 Å
• α: 90°
• β: 93.934 ± 0.011°
• γ: 90°
• Cell volume: 1719.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No