Information card for entry 2000380

Structure parameters

• Formula: C26 H26 O
• Calculated formula: C26 H26 O
• SMILES: CC1(O)c2cc3CCc4ccc(CCc5cc1c(cc5)CCc2cc3)cc4
• Title of publication: Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane
• Authors of publication: Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2203 - 2207
• a: 23.978 ± 0.004 Å
• b: 23.978 ± 0.004 Å
• c: 8.918 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4440.4 ± 1.4 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No