Information card for entry 7236784

Structure parameters

• Formula: C18 H16 O6
• Calculated formula: C18 H16 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: 16.6526 ± 0.0009 Å
• b: 13.0136 ± 0.0006 Å
• c: 7.1164 ± 0.0004 Å
• α: 90°
• β: 101.118 ± 0.003°
• γ: 90°
• Cell volume: 1513.25 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No