Information card for entry 4510462

Structure parameters

• Formula: C86 H76 N4 O6 S2
• Calculated formula: C86 H76 N4 O6 S2
• Title of publication: Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine
• Authors of publication: Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2381
• a: 11.5015 ± 0.0007 Å
• b: 16.4403 ± 0.0007 Å
• c: 19.6538 ± 0.0009 Å
• α: 96.2 ± 0.004°
• β: 91.847 ± 0.004°
• γ: 109.329 ± 0.005°
• Cell volume: 3477.1 ± 0.3 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: 0.0971
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No