Information card for entry 2001966

Structure parameters

• Formula: C18 H20 O3
• Calculated formula: C18 H20 O3
• SMILES: O(C1[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)[C@@H]2[C@@H]4C=C[C@H]([C@H]12)C4)C3)C(=O)C.O(C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)[C@H]2[C@H]4C=C[C@@H]([C@@H]12)C4)C3)C(=O)C
• Title of publication: Structures of derivatives of the Diels‒Alder adduct 1,4,4a,5,8,8a,9a,10a-octahydro-1,4:5,8-dimethano-9,10-anthraquinone
• Authors of publication: Alex, G.; Srinivasan, S.; Bakthavatchalam, R.; Ramadas, S. R.; Varghese, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 303 - 307
• a: 12.036 ± 0.003 Å
• b: 28.753 ± 0.003 Å
• c: 8.451 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2924.6 ± 1.3 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P b c a
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No