Information card for entry 8101775

Structure parameters

• Chemical name: 1,2,3,4,5-pentabromocyclopentane
• Formula: C5 H5 Br5
• Calculated formula: C5 H5 Br5
• SMILES: BrC1C(Br)C(Br)C(Br)C1Br
• Title of publication: Crystal structure of 1,2,3,4,5-pentabromocyclopentane, C~5~H~5~Br~5~
• Authors of publication: R. D. Ernst; C. Li; A. M. Arif
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 279 - 280
• a: 10.6353 ± 0.0009 Å
• b: 8.4605 ± 0.0007 Å
• c: 11.2031 ± 0.001 Å
• α: 90°
• β: 100.799 ± 0.004°
• γ: 90°
• Cell volume: 990.2 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No