Information card for entry 2001257

Structure parameters

• Formula: C20 H14 Cl2 O6
• Calculated formula: C20 H14 Cl2 O6
• SMILES: Cl[C@@]12OO[C@]3(c4ccccc4[C@@](Cl)(c4ccccc14)[C@@]23C(=O)OC)C(=O)OC.Cl[C@]12OO[C@@]3(c4ccccc4[C@](Cl)(c4ccccc14)[C@]23C(=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: 9.012 ± 0.004 Å
• b: 13.272 ± 0.008 Å
• c: 7.869 ± 0.006 Å
• α: 94.07 ± 0.06°
• β: 97.79 ± 0.05°
• γ: 88.34 ± 0.04°
• Cell volume: 930 ± 1 ų
• Cell 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: 0.087
• Weighted residual factors for significantly intense reflections: 0.121
• Goodness-of-fit parameter for significantly intense reflections: 3.7
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No