Information card for entry 7220268

Structure parameters

• Common name: Quinizarin
• Chemical name: 1,4-dihydroxyanthraquinone
• Formula: C14 H8 O4
• Calculated formula: C14 H8 O4
• SMILES: O=C1c2c(cccc2)C(=O)c2c1c(O)ccc2O
• 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: 10.239 ± 0.0008 Å
• b: 6.0429 ± 0.0004 Å
• c: 16.454 ± 0.002 Å
• α: 90°
• β: 95.999 ± 0.008°
• γ: 90°
• Cell volume: 1012.49 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0566
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No