Information card for entry 1570225

Structure parameters

• Formula: C75 H111 K3 O21
• Calculated formula: C71 H103 K3 O20
• 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: 13.4467 ± 0.0007 Å
• b: 15.8867 ± 0.0009 Å
• c: 18.3239 ± 0.001 Å
• α: 90°
• β: 102.386 ± 0.001°
• γ: 90°
• Cell volume: 3823.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2536
• Weighted residual factors for all reflections included in the refinement: 0.2668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No