Information card for entry 2004245

Structure parameters

• Chemical name: Dimethyl 1,8-dichloro-9,10-dihydro-9,10- ethenoanthracene-11,12-dicarboxylate
• Formula: C20 H14 Cl2 O4
• Calculated formula: C20 H14 Cl2 O4
• SMILES: Clc1cccc2c1C1c3c(Cl)cccc3C2C(=C1C(=O)OC)C(=O)OC
• Title of publication: Photochemistry of Dimethyl 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
• Authors of publication: Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2685 - 2687
• a: 8.106 ± 0.001 Å
• b: 14.788 ± 0.001 Å
• c: 7.866 ± 0.001 Å
• α: 100.93 ± 0.01°
• β: 103.28 ± 0.01°
• γ: 90.86 ± 0.01°
• Cell volume: 899.35 ± 0.18 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 3.96
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No