Information card for entry 7220269

Structure parameters

• Common name: Quinizarin
• Chemical name: 1,4-dihydroxyanthraquinone
• Formula: C14 H8 O4
• Calculated formula: C14 H8 O4
• SMILES: O=C1c2c(O)ccc(O)c2C(=O)c2ccccc12
• Title of publication: Investigation into solid and solution properties of quinizarin
• Authors of publication: Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 3985
• a: 20.0099 ± 0.0012 Å
• b: 24.6219 ± 0.0009 Å
• c: 18.3201 ± 0.0011 Å
• α: 90°
• β: 116.274 ± 0.008°
• γ: 90°
• Cell volume: 8093.5 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No