Information card for entry 7201462

Structure parameters

• Formula: C16 H8 S6
• Calculated formula: C16 H8 S6
• SMILES: s1ccc2Sc3ccsc3c3sccc3Sc3c(scc3)c12
• Title of publication: Unusual tubular organization with crystal stacks from a new cyclic thiophene compound,
• Authors of publication: Lu, Kun; Liu, Yunqi; Di, Chong-an; Du, Chunyan; Ye, Shanghui; Wu, Ti; Liu, Hongtao; Xu, Xudong; Yu, Gui
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2288
• a: 8.5563 ± 0.0011 Å
• b: 11.8407 ± 0.0015 Å
• c: 16.475 ± 0.002 Å
• α: 90°
• β: 98.639 ± 0.002°
• γ: 90°
• Cell volume: 1650.2 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No