Information card for entry 7063143

Structure parameters

• Chemical name: WF-5
• Formula: C30 H31 N3 O2
• Calculated formula: C30 H31 N3 O2
• SMILES: O=Cc1[nH]c(c(c1CC)CC)c1cc2[nH]c3c(c2cc1)ccc(c1[nH]c(c(c1CC)CC)C=O)c3
• 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
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 8153 - 8157
• a: 14.386 ± 0.006 Å
• b: 7.518 ± 0.005 Å
• c: 22.733 ± 0.012 Å
• α: 90°
• β: 101.2 ± 0.02°
• γ: 90°
• Cell volume: 2412 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0664
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No