Information card for entry 1570881

Structure parameters

• Formula: C51 H46 O
• Calculated formula: C51 H46 O
• Title of publication: Controllable π-π coupling of intramolecular dimer models in aggregated states.
• Authors of publication: Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 4364 - 4373
• a: 11.379 ± 0.0002 Å
• b: 18.1303 ± 0.0003 Å
• c: 19.2624 ± 0.0004 Å
• α: 83.876 ± 0.002°
• β: 81.273 ± 0.002°
• γ: 81.763 ± 0.002°
• Cell volume: 3872.71 ± 0.13 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No