Information card for entry 7218843

Structure parameters

• Formula: C54 H60 N2 O12 S2
• Calculated formula: C54 H56 N2 O12 S2
• Title of publication: Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium
• Authors of publication: Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.6061 ± 0.0019 Å
• b: 12.081 ± 0.002 Å
• c: 12.588 ± 0.003 Å
• α: 68.92 ± 0.03°
• β: 72.3 ± 0.03°
• γ: 82.3 ± 0.03°
• Cell volume: 1298.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No