Information card for entry 2000442

Structure parameters

• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: O=C1[C@@H]2[C@@H]3C(=O)[C@H]4[C@H]5[C@H]([C@@H]2C=C[C@@H]([C@@H]14)C5)C=C3.O=C1[C@H]2[C@H]3C(=O)[C@@H]4[C@@H]5[C@@H]([C@H]2C=C[C@H]([C@H]14)C5)C=C3
• Title of publication: Structure of pentacyclo[8.5.0.0^2,7^.0^4,13^.0^5,1^]pentadeca-8,14-diene-3,6-dione
• Authors of publication: Nethaji, M.; Pattabhi, V.; Harikrishna Reddy, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 1980 - 1981
• a: 7.7505 ± 0.0009 Å
• b: 16.484 ± 0.002 Å
• c: 8.7383 ± 0.0009 Å
• α: 90°
• β: 101.16 ± 0.01°
• γ: 90°
• Cell volume: 1095.3 ± 0.2 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No