Information card for entry 7063139

Structure parameters

• Formula: C22 H27 N3 O2
• Calculated formula: C22 H27 N3 O2
• Title of publication: “One–Pot” Synthesis of Oligopyrrolic Dialdehydes
• Authors of publication: Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 8.9704 ± 0.0002 Å
• b: 14.6873 ± 0.0004 Å
• c: 14.7777 ± 0.0004 Å
• α: 90°
• β: 97.741 ± 0.001°
• γ: 90°
• Cell volume: 1929.23 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No