Information card for entry 2200294

Structure parameters

• Formula: C20 H42 S2
• Calculated formula: C20 H42 S2
• SMILES: SCCCCCCCCCCCCCCCCCCCCS
• Title of publication: Icosane-1,20-dithiol
• Authors of publication: Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o505 - o507
• a: 4.2261 ± 0.0006 Å
• b: 5.4283 ± 0.0006 Å
• c: 23.819 ± 0.003 Å
• α: 87.43 ± 0.01°
• β: 86.56 ± 0.01°
• γ: 83.37 ± 0.01°
• Cell volume: 541.39 ± 0.12 ų
• Cell temperature: 296.2 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: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.769
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No