Information card for entry 2001875

Structure parameters

• Formula: C28 H14 O6
• Calculated formula: C28 H14 O6
• SMILES: c1ccc2c(c1)cc1c(c2)cccc1.O=C1OC(=O)c2c3c1ccc1c3c(cc2)C(=O)OC1=O
• Title of publication: Structure of the molecular complex of anthracene with 1,8:4,5-naphthalenetetracarboxylic dianhydride
• Authors of publication: Hoier, H.; Zacharias, D. E.; Carrell, H. L.; Glusker, J. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 523 - 526
• a: 17.572 ± 0.01 Å
• b: 7.727 ± 0.004 Å
• c: 7.398 ± 0.004 Å
• α: 90°
• β: 101.9 ± 0.04°
• γ: 90°
• Cell volume: 982.9 ± 0.9 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No