Information card for entry 4022513

Structure parameters

• Common name: Bis(bicyclo[2.2.2]octeno)bicyclo[2.2.2]octanoterthiophene
• Formula: C30 H32 S3
• Calculated formula: C30 H32 S3
• Title of publication: Synthesis and Properties of Novel Oligothiophenes Surrounded by Bicyclo[2.2.2]octene Frameworks
• Authors of publication: Atsushi Wakamiya; Daisuke Yamazaki; Tohru Nishinaga; Toshikazu Kitagawa; Koichi Komatsu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 8305 - 8314
• a: 13.1988 ± 0.0008 Å
• b: 10.1717 ± 0.0007 Å
• c: 17.8654 ± 0.0011 Å
• α: 90°
• β: 96.436 ± 0.002°
• γ: 90°
• Cell volume: 2383.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No