Information card for entry 4000042

Structure parameters

• Chemical name: spiro[4,5]([2,1-b:3,4-b']dithieno)decane
• Formula: C14 H14 S2
• Calculated formula: C14 H14 S2
• SMILES: C1CCC2(CC1)c1ccsc1c1c2ccs1
• Title of publication: Steric Control of Conductivity in Highly Conjugated Polythiophenes
• Authors of publication: Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1665 - 1673
• a: 15.7886 ± 0.0011 Å
• b: 10.0214 ± 0.0007 Å
• c: 16.142 ± 0.0012 Å
• α: 90°
• β: 106.046 ± 0.006°
• γ: 90°
• Cell volume: 2454.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.0896
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No