Crystallography Open Database

Information card for entry 5000154

Preview

Coordinates	5000154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H8 N4 O12
Calculated formula	C9 H16 N8 O24
Title of publication	Pentaerythritol tetranitrate II: its crystal structure and transformation to PETN I; an algorithm for refinement of crystal structures with poor data
Authors of publication	Cady, H. H.; Larson, A. C.
Journal of publication	Acta Crystallographica Section B
Year of publication	1975
Journal volume	31
Journal issue	7
Pages of publication	1864 - 1869
a	13.29 Å
b	13.49 Å
c	6.83 Å
α	90°
β	90°
γ	90°
Cell volume	1224.5 Å³
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P c n b
Hall space group symbol	-P 2b 2ac
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.