Crystallography Open Database

Information card for entry 2104213

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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 Å³
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 F_obs	Yes

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