Theoretical Crystallography Open Database

Information card for entry 20001800

20001799 << 20001800 >> 20001801

Preview

Coordinates	20001800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 O8 Sn4
Calculated formula	C10 H14 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	9.7599061 Å
b	8.56402925 Å
c	11.82947783 Å
α	90°
β	102.485°
γ	90°
Cell volume	965.377 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
1551 (current)	2016-03-07	cif/ Adding structures of 20001800 via cif-deposit CGI script.	20001800.cif