Information card for entry 2104213

Structure parameters

• Common name: thiophene
• Chemical name: deuterated thiophene
• Formula: C4.572 D4.572 S1.143
• Calculated formula: C4.572 D4.572 S1.143
• 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: 5.5226 ± 0.0001 Å
• b: 7.62 ± 0.00009 Å
• c: 10.2688 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 432.134 ± 0.013 ų
• Cell temperature: 155 K
• Ambient diffraction temperature: 155 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 2.45 Å
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes