Information card for entry 2004063

Structure parameters

• Formula: C20 H19 Br O2
• Calculated formula: C20 H17 Br O2
• Title of publication: A Structure with Through-Space Cyclopropyl π-Interaction
• Authors of publication: Lloyd, B. A.; Arif, A. M.; Coots, R. J.; Allred, E. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2059 - 2062
• a: 11.35 ± 0.003 Å
• b: 13.838 ± 0.003 Å
• c: 10.509 ± 0.003 Å
• α: 90°
• β: 100.15 ± 0.02°
• γ: 90°
• Cell volume: 1624.7 ± 0.7 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0625
• Goodness-of-fit parameter for significantly intense reflections: 2.3818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No