Crystallography Open Database

Information card for entry 4100244

Preview

Coordinates	4100244.cif

Structure parameters

Formula	C11 H18 N4 O3 S
Calculated formula	C10.9991 H17.9979 N4 O3 S0.9997
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	6.5893 ± 0.0013 Å
b	5.4676 ± 0.0011 Å
c	18.392 ± 0.003 Å
α	90°
β	96.499 ± 0.006°
γ	90°
Cell volume	658.4 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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