Information card for entry 2203775

Structure parameters

• Formula: C22 H22 O4
• Calculated formula: C22 H22 O4
• SMILES: C12c3ccccc3C(c3ccccc13)CC2(C(=O)OCC)C(=O)OCC
• Title of publication: Diethyl 9,10-<i>endo</i>-ethano-9,10-dihydroanthracene-11,11-dicarboxylate
• Authors of publication: Simpson, Michael; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1081 - o1083
• a: 9.2424 ± 0.0002 Å
• b: 16.521 ± 0.0005 Å
• c: 11.9154 ± 0.0004 Å
• α: 90°
• β: 98.631 ± 0.002°
• γ: 90°
• Cell volume: 1798.8 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes