Information card for entry 2101444

Structure parameters

• Formula: C22 H20 O6
• Calculated formula: C22 H20 O6
• SMILES: COC(=O)C1=C(C(=O)OC)[C@H]2c3c([C@@H]1c1c2c(OC)ccc1)c(OC)ccc3.COC(=O)C1=C(C(=O)OC)[C@@H]2c3c([C@H]1c1c2c(OC)ccc1)c(OC)ccc3
• 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: 14.9 ± 0.002 Å
• b: 15.128 ± 0.009 Å
• c: 8.809 ± 0.003 Å
• α: 105.03 ± 0.03°
• β: 90.22 ± 0.02°
• γ: 82.79 ± 0.03°
• Cell volume: 1901.7 ± 1.4 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No