Information card for entry 2015940

Structure parameters

• Common name: dimethyl sulfone
• Chemical name: Perdeuterodimethyl sulfone
• Formula: C2 D6 O2 S
• Calculated formula: C2 D6 O2 S
• SMILES: S(=O)(=O)(C([2H])([2H])[2H])C([2H])([2H])[2H]
• Title of publication: Neutron powder diffraction study of perdeuterodimethyl sulfone
• Authors of publication: Ibberson, R. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o292 - o294
• a: 7.12899 ± 0.00002 Å
• b: 7.93194 ± 0.00003 Å
• c: 7.17658 ± 0.00002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 405.812 ± 0.002 ų
• Cell temperature: 4.5 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Goodness-of-fit parameter for all reflections: 1.98
• Diffraction radiation probe: neutron
• Diffraction radiation type: time-of-flightneutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No