Information card for entry 7251707

Structure parameters

• Formula: C148 H217 F9 N18 O25 S3
• Calculated formula: C148 H217 F9 N18 O25 S3
• Title of publication: Guest-induced diverse self-assemblies of an oligopyrrole
• Authors of publication: Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 2023 - 2028
• a: 31.191 ± 0.003 Å
• b: 13.3642 ± 0.0013 Å
• c: 42.964 ± 0.005 Å
• α: 90°
• β: 110.582 ± 0.004°
• γ: 90°
• Cell volume: 16766 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1397
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2469
• Weighted residual factors for all reflections included in the refinement: 0.2874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: Synchrotron
• Diffraction radiation X-ray symbol: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No