Information card for entry 2217926

Structure parameters

• Chemical name: 2,3,4-Tribromothiophene
• Formula: C4 H Br3 S
• Calculated formula: C4 H Br3 S
• SMILES: s1cc(Br)c(Br)c1Br
• Title of publication: 2,3,4-Tribromothiophene
• Authors of publication: Kuriger, Tony M.; Moratti, Stephen C.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o709
• a: 12.4529 ± 0.0011 Å
• b: 3.9724 ± 0.0004 Å
• c: 28.846 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1427 ± 0.2 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes