Information card for entry 8102585

Structure parameters

• Chemical name: 5,5',5''-tribromo-3,3''-dimethyl-2,2':3',2''-terthiophene, C~14~H~9~Br~3~S~3~
• Formula: C14 H9 Br3 S3
• Calculated formula: C14 H9 Br3 S3
• SMILES: Brc1cc(c(c2c(cc(Br)s2)C)s1)c1c(cc(Br)s1)C
• Title of publication: Crystal structure of 5,5',5''-tribromo-3,3''-dimethyl-2,2':3',2''-terthiophene, C14H9Br3S3
• Authors of publication: Xiaochuan Li; Bingcai Wang; Young-A Son; Jiange Wang; Sheng Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 697
• a: 19.1566 ± 0.0019 Å
• b: 11.6553 ± 0.0012 Å
• c: 7.4717 ± 0.0008 Å
• α: 90°
• β: 91.188 ± 0.001°
• γ: 90°
• Cell volume: 1667.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No