Information card for entry 2013368

Structure parameters

• Chemical name: 10-[1-(prop-2-enyl)]-1,8,10-trihydoxy-9(10H)-anthracenone
• Formula: C17 H14 O4
• Calculated formula: C17 H14 O4
• SMILES: Oc1cccc2C(O)(c3cccc(O)c3C(=O)c12)CC=C
• Title of publication: Hydrogen-bonded dimers of 1,8,10-trihydroxy-10-(prop-2-enyl)anthracen-9(10<i>H</i>)-one: <i>S</i>(6), <i>R</i>^<b>1</b>_<b>2</b>(10) and <i>R</i>^<b>2</b>_<b>2</b>(14) motifs
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Kumar, Subodh; Kumar, Vijay; Linden, Anthony
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o335 - o337
• a: 9.0267 ± 0.0001 Å
• b: 20.0965 ± 0.0003 Å
• c: 8.0592 ± 0.0001 Å
• α: 90°
• β: 116.033 ± 0.0009°
• γ: 90°
• Cell volume: 1313.65 ± 0.03 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes