Information card for entry 2001255

Structure parameters

• Formula: C20 H14 Cl2 O4
• Calculated formula: C20 H14 Cl2 O4
• SMILES: ClC12c3ccccc3C(Cl)(c3ccccc13)C(=C2C(=O)OC)C(=O)OC
• 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: 14.767 ± 0.001 Å
• b: 8.243 ± 0.002 Å
• c: 15.13 ± 0.001 Å
• α: 90°
• β: 105.36 ± 0.01°
• γ: 90°
• Cell volume: 1775.9 ± 0.5 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 1.62
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No