Information card for entry 2001916

Structure parameters

• Chemical name: 4-[2-benzoyl-1-(benzoylmethyl)ethyl][2.2]paracyclophane
• Formula: C33 H30 O2
• Calculated formula: C33 H30 O2
• SMILES: O=C(CC(c1c2CCc3ccc(CCc(c1)cc2)cc3)CC(=O)c1ccccc1)c1ccccc1
• Title of publication: 4-[2-Benzoyl-1-(benzoylmethyl)ethyl][2.2]paracyclophane
• Authors of publication: Kharitonov, V. G.; Antonov, D. Yu.; Rozenberg, V. I.; Nikanorov, V. A.; Yanovsky, A. I.; Struchkov, Yu. T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 612 - 615
• a: 13.032 ± 0.003 Å
• b: 21.366 ± 0.004 Å
• c: 9.041 ± 0.002 Å
• α: 90°
• β: 100.77 ± 0.02°
• γ: 90°
• Cell volume: 2473 ± 0.9 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• 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
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.0984
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No