Information card for entry 7205013

Structure parameters

• Formula: C10 H12 Br4
• Calculated formula: C10 H12 Br4
• Title of publication: Comparison of hydrogen abstraction and homolytic substitution in pentacyclo[4.n.0.02,5.03,8.04,7]alkanesElectronic supplementary information (ESI) available: experimental details (GC-MS) for photobrominations of basketane and homocubane. See http://www.rsc.org/suppdata/p2/b2/b200699e/
• Authors of publication: Lightfoot, Phillip; Pareschi, Patrizia; Walton, John C.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 918
• a: 11.072 ± 0.004 Å
• b: 9.078 ± 0.004 Å
• c: 12.442 ± 0.004 Å
• α: 90°
• β: 101.65 ± 0.03°
• γ: 90°
• Cell volume: 1224.8 ± 0.8 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• 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
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.084
• Goodness-of-fit parameter for significantly intense reflections: 2.407
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No