Information card for entry 7132888

Structure parameters

• Formula: C58 H46 O10
• Calculated formula: C58 H46 O10
• Title of publication: Crystalline hydrogen-bonded organic framework for air-tolerant triplet-triplet annihilation upconversion.
• Authors of publication: Zhang, Qiaoyu; Luo, Guiwen; Hu, Rui; Yang, Guoqiang; Chen, Jinping; Yu, Tianjun; Zeng, Yi; Li, Yi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 33
• Pages of publication: 4475 - 4478
• a: 7.6531 ± 0.0005 Å
• b: 20.7577 ± 0.001 Å
• c: 37.5707 ± 0.0013 Å
• α: 90°
• β: 92.335 ± 0.004°
• γ: 90°
• Cell volume: 5963.6 ± 0.5 ų
• Cell temperature: 170 ± 0.12 K
• Ambient diffraction temperature: 170 ± 0.12 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1547
• Residual factor for significantly intense reflections: 0.1253
• Weighted residual factors for significantly intense reflections: 0.3384
• Weighted residual factors for all reflections included in the refinement: 0.3691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.419
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No