Information card for entry 2005367

Structure parameters

• Formula: C13 H15 Br2 N O2
• Calculated formula: C11.5 H13.5 Br2 N0.5 O2
• Title of publication: 3a,7a-Dibromo-2-butyl-4,7-methano-1,3,3a,4,7,7a-hexahydro-2<i>H</i>-isoindole-1,3-dione from the Reaction of 3,4-Dibromo-1-butylmaleimide with Cyclopentadiene
• Authors of publication: Beddoes, R. L.; Zhao, Y.; Joule, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2313 - 2315
• a: 20.345 ± 0.003 Å
• b: 10.316 ± 0.002 Å
• c: 6.482 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1360.4 ± 0.4 ų
• Cell temperature: 295.2 K
• Ambient diffraction temperature: 295.2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0245
• Goodness-of-fit parameter for all reflections: 1.271
• Goodness-of-fit parameter for significantly intense reflections: 1.477
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No