Information card for entry 2101440

Structure parameters

• Formula: C20 H14 Cl2 O4
• Calculated formula: C20 H14 Cl2 O4
• SMILES: Clc1cccc2c1[C@@H]1c3cccc(Cl)c3[C@H]2C(=C1C(=O)OC)C(=O)OC.Clc1cccc2c1[C@H]1c3cccc(Cl)c3[C@@H]2C(=C1C(=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: 7.672 ± 0.001 Å
• b: 8.217 ± 0.002 Å
• c: 29.042 ± 0.002 Å
• α: 90°
• β: 92.41 ± 0.01°
• γ: 90°
• Cell volume: 1829.2 ± 0.5 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No