Information card for entry 1570224

Structure parameters

• Formula: C51 H64 Cs2 O12
• Calculated formula: C51 H64 Cs2 O12
• 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: 21.0136 ± 0.001 Å
• b: 12.7649 ± 0.0006 Å
• c: 21.1357 ± 0.001 Å
• α: 90°
• β: 118.744 ± 0.002°
• γ: 90°
• Cell volume: 4970.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No