Information card for entry 1504787

Structure parameters

• Common name: TTPLY
• Formula: C26 H10 S8
• Calculated formula: C26 H10 S8
• SMILES: S1Sc2ccc3ccc(SSc4ccc5ccc6SSC7c6c5c4C(=S)C=7)c4C(=S)C=C1c2c34
• Title of publication: Tetrathiophenalenyl radical and its disulfide-bridged dimer.
• Authors of publication: Beer, Leanne; Reed, Robert W.; Robertson, Craig M.; Oakley, Richard T.; Tham, Fook S.; Haddon, Robert C.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 3121 - 3123
• a: 18.403 ± 0.006 Å
• b: 8.002 ± 0.003 Å
• c: 14.417 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2123.1 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1828
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No