Information card for entry 2101068

Structure parameters

• Formula: C21 H18 O4
• Calculated formula: C21 H18 O4
• SMILES: COC(=O)C1=Cc2ccccc2C(=C(c2c1cccc2)C)C(=O)OC
• 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: 18.364 ± 0.004 Å
• b: 10.485 ± 0.003 Å
• c: 9.031 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1738.9 ± 1 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No