Information card for entry 2000378

Structure parameters

• Formula: C25 H22 O
• Calculated formula: C25 H22 O
• SMILES: O=C1c2cc3CCc4ccc(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: 10.677 ± 0.002 Å
• b: 26.122 ± 0.003 Å
• c: 13.053 ± 0.002 Å
• α: 90°
• β: 92.96 ± 0.02°
• γ: 90°
• Cell volume: 3635.7 ± 1 ų
• Number of distinct elements: 3
• 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