Information card for entry 4116703

Structure parameters

• Common name: BDT
• Chemical name: α,α'-bis(dithieno[3,2-b:2',3'-d]thiophene
• Formula: C16 H6 S6
• Calculated formula: C16 H6 S6
• SMILES: c1cc2c(c3c(cc(s3)c3cc4c(c5c(ccs5)s4)s3)s2)s1
• Title of publication: A Highly π-Stacked Organic Semiconductor for Thin Film Transistors Based on Fused Thiophenes
• Authors of publication: Xiao-Chang Li; Henning Sirringhaus; Francis Garnier; Andrew B. Holmes; Stephen C. Moratti; Neil Feeder; William Clegg; Simon J. Teat; Richard H. Friend
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 2206 - 2207
• a: 33.689 ± 0.002 Å
• b: 3.8834 ± 0.0002 Å
• c: 11.1055 ± 0.0005 Å
• α: 90°
• β: 101.093 ± 0.002°
• γ: 90°
• Cell volume: 1425.76 ± 0.13 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.1314
• Weighted residual factors for significantly intense reflections: 0.1265
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.6879 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No