Information card for entry 2205031

Structure parameters

• Common name: 3-Geranyloxy-6-methyl-1,8-dihydroxyanthraquinone
• Chemical name: 3-(3,7-Dimethylocta-2,6-dienyloxy)-1,8-dihydroxy-6-methyl-9,10-anthraquinone
• Formula: C25 H26 O5
• Calculated formula: C25 H26 O5
• SMILES: Oc1cc(cc2c1C(=O)c1c(C2=O)cc(OC\C=C(CC\C=C(/C)C)/C)cc1O)C
• Title of publication: 3-(3,7-Dimethylocta-2,6-dienyloxy)-1,8-dihydroxy-6-methyl-9,10-anthraquinone
• Authors of publication: Nawong Boonnak; Suchada Chantrapromma; Hoong-Kun Fun; Shazia Anjum; Shamsher Ali; Atta-ur-Rahman; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o410 - o412
• a: 4.6082 ± 0.0001 Å
• b: 12.965 ± 0.004 Å
• c: 18.105 ± 0.005 Å
• α: 100.074 ± 0.005°
• β: 92.978 ± 0.005°
• γ: 96.526 ± 0.005°
• Cell volume: 1055.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes