Information card for entry 2101442

Structure parameters

• Formula: C26 H19 N2 O4
• Calculated formula: C26 H19 N2 O4
• SMILES: Cc1ccc(cc1)C.COC(=O)C1=C(C(=O)OC)[C@H]2c3c([C@@H]1c1c2cccc1C#N)cccc3C#N.COC(=O)C1=C(C(=O)OC)[C@@H]2c3c([C@H]1c1c2cccc1C#N)cccc3C#N
• 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: 15.328 ± 0.003 Å
• b: 14.483 ± 0.002 Å
• c: 20.421 ± 0.001 Å
• α: 90°
• β: 105.65 ± 0.01°
• γ: 90°
• Cell volume: 4365.3 ± 1.1 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No