Information card for entry 4025482

Structure parameters

• Formula: C22 H14 O3
• Calculated formula: C22 H14 O3
• SMILES: O=C1c2c3c(c4c1cccc4OC)c(oc3ccc2)c1ccccc1
• 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: 9.9315 ± 0.0011 Å
• b: 14.2636 ± 0.0015 Å
• c: 21.545 ± 0.002 Å
• α: 90°
• β: 90.258 ± 0.001°
• γ: 90°
• Cell volume: 3052 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No