Information card for entry 2001256

Structure parameters

• Formula: C20 H14 Cl2 O4
• Calculated formula: C20 H14 Cl2 O4
• SMILES: COC(=O)[C@]12c3ccccc3[C@@]3([C@]1([C@@]2(Cl)c1c3cccc1)C(=O)OC)Cl
• Title of publication: Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
• Authors of publication: Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 2014 - 2018
• a: 10.42 ± 0.003 Å
• b: 17.652 ± 0.001 Å
• c: 9.697 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1783.6 ± 0.6 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 2.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No