Information card for entry 4021611

Structure parameters

• Chemical name: 10-benzyloxy-1,2,3-trimethoxy-6,7-(methylene-1,3-dioxy) anthracene
• Formula: C25 H22 O6
• Calculated formula: C25 H22 O6
• SMILES: O1COc2c1cc1cc3c(OC)c(OC)c(OC)cc3c(OCc3ccccc3)c1c2
• Title of publication: Unusual Transformation of the Diarylmethanol Derivative into an Unknown 1,2,3,6,7,10-Hexahydroxylated Anthracene System
• Authors of publication: Piotr Bałczewski; Marek Koprowski; Agnieszka Bodzioch; Bernard Marciniak; Ewa Róžycka-Sokołowska
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 2899 - 2902
• a: 7.985 ± 0.002 Å
• b: 11.404 ± 0.002 Å
• c: 12.996 ± 0.003 Å
• α: 113.74 ± 0.03°
• β: 92.24 ± 0.03°
• γ: 104.11 ± 0.03°
• Cell volume: 1038 ± 0.5 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: 0.0609
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No