Information card for entry 7236785

Structure parameters

• Formula: C19 H18 O7
• Calculated formula: C19 H18 O7
• 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: 5.052 ± 0.0007 Å
• b: 13.1936 ± 0.0017 Å
• c: 13.2923 ± 0.0017 Å
• α: 112.28 ± 0.005°
• β: 97.693 ± 0.005°
• γ: 92.622 ± 0.005°
• Cell volume: 807.95 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No