Information card for entry 2212785

Structure parameters

• Common name: Allanxanthone A
• Chemical name: 4-(1,1-dimethyl-2-prop-2-enyl)-1,3,5-trihydroxy-2-(3-methylbut-2-enyl)-\ 9H-xanthen-9-one
• Formula: C23 H24 O5
• Calculated formula: C23 H24 O5
• SMILES: Oc1cccc2c1oc1c(c(O)c(c(O)c1c2=O)CC=C(C)C)C(C)(C)C=C
• Title of publication: 4-(1,1-Dimethylprop-2-enyl)-1,3,5-trihydroxy-2-(3-methylbut-2-enyl)-9<i>H</i>-xanthen-9-one
• Authors of publication: Ndjakou Lenta, Bruno; Krishna Prasad Devkota; Beate Neumann; Etienne Tsamo; Norbert Sewald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1629 - o1631
• a: 12.9715 ± 0.0008 Å
• b: 14.616 ± 0.0008 Å
• c: 10.033 ± 0.0005 Å
• α: 90°
• β: 97.739 ± 0.003°
• γ: 90°
• Cell volume: 1884.85 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0794
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes