Information card for entry 7235913

Structure parameters

• Formula: C54 H52 N2 O8 S2
• Calculated formula: C54 H52 N2 O8 S2
• Title of publication: Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium
• Authors of publication: Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 52
• Pages of publication: 41692
• a: 10.2797 ± 0.001 Å
• b: 10.6209 ± 0.0014 Å
• c: 12.2253 ± 0.0009 Å
• α: 81.195 ± 0.009°
• β: 74.204 ± 0.008°
• γ: 69.673 ± 0.011°
• Cell volume: 1201.8 ± 0.2 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: 0.105
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No