Theoretical Crystallography Open Database

Information card for entry 20001804

20001803 << 20001804 >> 20001805

Preview

Coordinates	20001804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H48 O8 Sn4
Calculated formula	C4 H12 O2 Sn
Title of publication	A polymer dataset for accelerated property prediction and design
Authors of publication	Huan, Tran Doan; Mannodi-Kanakkithodi, Arun; Kim, Chiho; Sharma, Vinit; Pilania, Ghanshyam; Ramprasad, Rampi
Journal of publication	Sci. Data
Year of publication	2016
Journal volume	3
Pages of publication	160012
a	7.99022011 Å
b	6.92765897 Å
c	10.78789916 Å
α	89.9979°
β	85.7655°
γ	89.9974°
Cell volume	595.518 Å³
Number of distinct elements	4
Hermann-Mauguin symmetry space group	P 1
Hall symmetry space group	P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
1555 (current)	2016-03-07	cif/ Adding structures of 20001804 via cif-deposit CGI script.	20001804.cif