Information card for entry 7061179

Structure parameters

• Formula: C46 H29.58 N4 O16
• Calculated formula: C46 H29.584 N4 O16
• Title of publication: Two new photochromic supramolecular compositions based on viologen: photocontrolled fluorescence, aniline detection and inkless erasable printing performance
• Authors of publication: Zhu, Bai-Li; Jin, Yun-Peng; Jiang, Jian; Zuo, Ming-Hui; Cui, Shu-Xin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1905 - 1911
• a: 9.7493 ± 0.0016 Å
• b: 14.816 ± 0.002 Å
• c: 14.827 ± 0.002 Å
• α: 81.262 ± 0.003°
• β: 81.825 ± 0.003°
• γ: 72.098 ± 0.003°
• Cell volume: 2003.9 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1507
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.25
• Weighted residual factors for all reflections included in the refinement: 0.298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No