Information card for entry 7134327

Structure parameters

• Common name: PPSCZ
• Formula: C120 H117.84 Br0.16 N10
• Calculated formula: C120 H117.844 Br0.1562 N10
• Title of publication: Tuning charge transfer properties in symmetric and asymmetric pyrrolo[3,2-<i>b</i>]pyrrole derivatives with hybridized local and charge-transfer characteristics.
• Authors of publication: Su, Jie; Wei, Jian; Ye, Kaishun; Li, Feiyang; Wang, Mengzhu; Li, Qiuxia; Yuan, Aihua; Zhao, Qiang; Shi, Chao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 29
• Pages of publication: 5475 - 5478
• a: 8.9922 ± 0.0004 Å
• b: 10.9314 ± 0.0004 Å
• c: 28.0249 ± 0.0009 Å
• α: 81.537 ± 0.002°
• β: 84.208 ± 0.003°
• γ: 88.326 ± 0.003°
• Cell volume: 2710.58 ± 0.18 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No