Information card for entry 2101445

Structure parameters

• Formula: C20 H14 Cl2 O4
• Calculated formula: C20 H14 Cl2 O4
• SMILES: Clc1cccc2c1[C@]1([C@H]3c4cccc(Cl)c4[C@@H]2[C@@]13C(=O)OC)C(=O)OC.Clc1cccc2c1[C@@]1([C@@H]3c4cccc(Cl)c4[C@H]2[C@]13C(=O)OC)C(=O)OC
• Title of publication: Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
• Authors of publication: Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 151 - 158
• a: 14.867 ± 0.001 Å
• b: 8.109 ± 0.001 Å
• c: 14.944 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1801.6 ± 0.3 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No