Information card for entry 1570222

Structure parameters

• Formula: C67 H96 Na2 O16
• Calculated formula: C67 H96 Na2 O16
• 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: 13.6941 ± 0.0002 Å
• b: 21.0294 ± 0.0003 Å
• c: 22.7326 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6546.5 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2595
• Residual factor for significantly intense reflections: 0.175
• Weighted residual factors for significantly intense reflections: 0.3973
• Weighted residual factors for all reflections included in the refinement: 0.4689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No