Information card for entry 7236787

Structure parameters

• Formula: C16 H14 O6
• Calculated formula: C16 H14 O6
• Title of publication: Vapor triggered fluorescent color changes among solvates of Emodin
• Authors of publication: Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 5970
• a: 3.8735 ± 0.0005 Å
• b: 15.89 ± 0.002 Å
• c: 21.215 ± 0.003 Å
• α: 90°
• β: 92.664 ± 0.006°
• γ: 90°
• Cell volume: 1304.4 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1694
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No