Crystallography Open Database

Information card for entry 4100299

Preview

Coordinates	4100299.cif

Structure parameters

Formula	C8 H9 N O S
Calculated formula	C8 H9 N O S
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	9.2374 ± 0.001 Å
b	18.966 ± 0.002 Å
c	4.6027 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	806.37 ± 0.15 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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