Information card for entry 2240864

Structure parameters

• Common name: 03251a
• Chemical name: Bis(<i>N</i>-methyl-<i>N</i>-phenylamino)trisulfane
• Formula: C14 H16 N2 S3
• Calculated formula: C14 H16 N2 S3
• SMILES: S(SSN(C)c1ccccc1)N(C)c1ccccc1
• Title of publication: Crystal structure of bis(<i>N</i>-methyl-<i>N</i>-phenylamino)trisulfane
• Authors of publication: Barany, George; Henley, Matthew J.; Polski, Lauren A.; Schroll, Alayne L.; Young, Jr, Victor G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: 836 - 839
• a: 19.284 ± 0.003 Å
• b: 56.44 ± 0.008 Å
• c: 11.1695 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12157 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes