Information card for entry 7241390

Structure parameters

• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• SMILES: O(C)c1cc(O)c(C(=O)/C=C/c2ccccc2O)cc1
• Title of publication: Hydroxychalcone dyes that serve as color indicators for pH and fluoride ions
• Authors of publication: Du, Yanqing; Liang, Fengying; Hu, Mixia; Bu, Ren; Wang, Meiling; Tsuda, Akihiko; Eerdun, Chaolu
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 61
• Pages of publication: 37463 - 37472
• a: 13.1097 ± 0.0007 Å
• b: 8.0041 ± 0.0005 Å
• c: 14.2334 ± 0.0008 Å
• α: 90°
• β: 117.105 ± 0.003°
• γ: 90°
• Cell volume: 1329.5 ± 0.14 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.079
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No