Information card for entry 1532507

Structure parameters

• Formula: C8 H4 F S3
• Calculated formula: C8 H4 F S3
• 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: 7.784 ± 0.0004 Å
• b: 22.5821 ± 0.0014 Å
• c: 9.6099 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1689.22 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No