Information card for entry 2104214

Structure parameters

• Formula: C4 D4 S
• Calculated formula: D1.75 S2
• Title of publication: Orientational ordering in the low-temperature stable phases of deuterated thiophene
• Authors of publication: Damay, F.; Rodríguez-Carvajal, J.; André, D.; Dunstetter, F.; Szwarc, H.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: 589 - 595
• a: 5.5169 Å
• b: 7.5335 Å
• c: 10.1817 Å
• α: 90°
• β: 89.996°
• γ: 90°
• Cell volume: 423.167 ų
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P21(\a0\g)0
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 2.45 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No