Information card for entry 2102931

Structure parameters

• Formula: C4 Br4 S
• Calculated formula: C4 Br4 S
• SMILES: Brc1sc(c(c1Br)Br)Br
• Title of publication: Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
• Authors of publication: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: 783 - 790
• a: 12.419 ± 0.005 Å
• b: 4.0397 ± 0.0017 Å
• c: 8.824 ± 0.004 Å
• α: 90°
• β: 109.181 ± 0.003°
• γ: 90°
• Cell volume: 418.1 ± 0.3 ų
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No