Information card for entry 2204377

Structure parameters

• Formula: C19 H40 S2
• Calculated formula: C19 H40 S2
• SMILES: SCCCCCCCCCCCCCCCCCCCS
• Title of publication: Nonadecane-1,19-dithiol
• Authors of publication: Naotake Nakamura; Hirotaka Shimizu; Yoshihiro Ogawa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1684 - o1686
• a: 4.7557 ± 0.0006 Å
• b: 5.5781 ± 0.0013 Å
• c: 40.93 ± 0.004 Å
• α: 92.452 ± 0.012°
• β: 92.094 ± 0.009°
• γ: 102.365 ± 0.013°
• Cell volume: 1058.5 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No