Information card for entry 4025480

Structure parameters

• Formula: C28 H20 O4
• Calculated formula: C28 H20 O4
• SMILES: O[C@@]12c3c(O[C@@H]2c2ccccc2)cccc3C(=O)c2cccc(OCc3ccccc3)c12.O[C@]12c3c(O[C@H]2c2ccccc2)cccc3C(=O)c2cccc(OCc3ccccc3)c12
• Title of publication: Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones
• Authors of publication: Saurav J. Sarma; Paul B. Jones
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3806 - 3813
• a: 9.0408 ± 0.0014 Å
• b: 11.148 ± 0.0018 Å
• c: 11.3313 ± 0.0018 Å
• α: 108.94 ± 0.002°
• β: 102.277 ± 0.002°
• γ: 91.844 ± 0.002°
• Cell volume: 1049.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0774
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No