Information card for entry 2101069

Structure parameters

• Formula: C22 H20 O4
• Calculated formula: C22 H20 O4
• SMILES: O(C(=O)C1=Cc2ccccc2C(=Cc2ccccc12)C(=O)OC(C)C)C
• Title of publication: Cyclooctatetraene formation in the photolyses of dibenzobarrelene diesters
• Authors of publication: Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1049 - 1052
• a: 9.121 ± 0.001 Å
• b: 20.486 ± 0.001 Å
• c: 10.028 ± 0.001 Å
• α: 90°
• β: 100.91 ± 0.01°
• γ: 90°
• Cell volume: 1839.9 ± 0.3 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No