Information card for entry 1507114

Structure parameters

• Common name: tetrabromobutatriene
• Formula: C28 H16 Br4 N4
• Calculated formula: C14 H8 Br2 N2
• Title of publication: Tetrabromobutatriene: completing the perhalocumulene series.
• Authors of publication: Liu, Pei-Hua; Li, Lei; Webb, Jeffrey A.; Zhang, Yi; Goroff, Nancy S.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 13
• Pages of publication: 2081 - 2083
• a: 5.9234 ± 0.001 Å
• b: 10.559 ± 0.0018 Å
• c: 11.2497 ± 0.0019 Å
• α: 67.095 ± 0.003°
• β: 85.57 ± 0.003°
• γ: 79.756 ± 0.003°
• Cell volume: 637.78 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No