Information card for entry 1532508

Structure parameters

• Formula: C16 H10 S6
• Calculated formula: C16 H10 S6
• SMILES: s1c(c2ccccc2)c2SSSSSc2c1c1ccccc1
• Title of publication: Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization
• Authors of publication: Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 44
• Pages of publication: 7658
• a: 24.2039 ± 0.0011 Å
• b: 6.2548 ± 0.0003 Å
• c: 22.525 ± 0.0009 Å
• α: 90°
• β: 103.733 ± 0.004°
• γ: 90°
• Cell volume: 3312.6 ± 0.3 ų
• Cell temperature: 102.26 ± 0.1 K
• Ambient diffraction temperature: 102.26 ± 0.1 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: 0.0402
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No