Information card for entry 1532509

Structure parameters

• Formula: C12 H6 S6 Se2
• Calculated formula: C12 H6 S6 Se2
• SMILES: [se]1c(c2sc(c3[se]ccc3)c3SSSSSc23)ccc1
• 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: 16.5074 ± 0.0003 Å
• b: 8.21747 ± 0.00013 Å
• c: 23.5969 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3200.9 ± 0.09 ų
• Cell temperature: 295.16 ± 0.1 K
• Ambient diffraction temperature: 295.16 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No