Information card for entry 1570223

Structure parameters

• Formula: C39 H41 Cs O6
• Calculated formula: C39 H41 Cs O6
• Title of publication: Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.
• Authors of publication: Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 45
• Pages of publication: 13219 - 13227
• a: 20.9133 ± 0.0009 Å
• b: 9.6671 ± 0.0003 Å
• c: 17.8849 ± 0.0007 Å
• α: 90°
• β: 112.375 ± 0.0012°
• γ: 90°
• Cell volume: 3343.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41329 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No