Information card for entry 2009679

Structure parameters

• Formula: C19 H30 O S2
• Calculated formula: C19 H30 O S2
• SMILES: S1C(SCC(C1)CCCCC)c1ccc(OCCCC)cc1
• Title of publication: 2-(<i>p</i>-Butoxyphenyl)-5-pentyl-1,3-dithiane, C~19~H~30~OS~2~
• Authors of publication: Miyake, M.; Haramoto, Y.; Kamogawa, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 805 - 807
• a: 11.285 ± 0.001 Å
• b: 16.531 ± 0.002 Å
• c: 5.4143 ± 0.0006 Å
• α: 95.36 ± 0.01°
• β: 91.92 ± 0.01°
• γ: 103.9 ± 0.01°
• Cell volume: 974.55 ± 0.19 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.44
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No