Information card for entry 1507314

Structure parameters

• Common name: thieno[3,4-f][1,2,3,4,5]pentathiepin
• Formula: C14 H20 N2 S6
• Calculated formula: C14 H20 N2 S6
• SMILES: s1c(N2CCCCC2)c2SSSSSc2c1N1CCCCC1
• Title of publication: Unprecedented conversion of triethylamine and disulfur dichloride into a thienopentathiepin and a heptathiocane.
• Authors of publication: Konstantinova, Lidia S.; Rakitin, Oleg A.; Rees, Charles W.; Souvorova, Ljudmila I.; Golovanov, Denis G.; Lyssenko, Konstantin A.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 1939 - 1942
• a: 8.4102 ± 0.0017 Å
• b: 11.579 ± 0.002 Å
• c: 19.01 ± 0.004 Å
• α: 90°
• β: 99.62 ± 0.03°
• γ: 90°
• Cell volume: 1825.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No