Information card for entry 2001967

Structure parameters

• Formula: C18 H22 O5
• Calculated formula: C18 H22 O5
• SMILES: O1[C@@H]2[C@H]3[C@H]4C(OC(=O)C)[C@@H]5[C@@H]6[C@H]7O[C@H]7[C@H]([C@@H]5C(O)[C@H]4[C@@H]([C@H]12)C3)C6.O1[C@H]2[C@@H]3[C@@H]4C(OC(=O)C)[C@H]5[C@H]6[C@@H]7O[C@@H]7[C@@H]([C@H]5C(O)[C@@H]4[C@H]([C@@H]12)C3)C6
• 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: 8.741 ± 0.001 Å
• b: 20.477 ± 0.002 Å
• c: 9.89 ± 0.001 Å
• α: 90°
• β: 92.17 ± 0.01°
• γ: 90°
• Cell volume: 1768.9 ± 0.3 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No