Crystallography Open Database

Information card for entry 4103787

Preview

Coordinates	4103787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H12
Calculated formula	C21 H12
SMILES	c12c3c4ccc2Cc2c1c1c5c3c(ccc5Cc1cc2)C4
Title of publication	Anisotropic Electron Transport Properties in Sumanene Crystal
Authors of publication	Toru Amaya; Shu Seki; Toshiyuki Moriuchi; Kana Nakamoto; Takuto Nakata; Hiroyuki Sakane; Akinori Saeki; Seiichi Tagawa; Toshikazu Hirao
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	408 - 409
a	16.6402 ± 0.0003 Å
b	16.6402 ± 0.0003 Å
c	7.7024 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	1847.03 ± 0.05 Å³
Cell temperature	277.2 K
Number of distinct elements	2
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	0.788
Diffraction radiation wavelength	1.5419 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4103787.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103787.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103787.cif
28256	2011-10-21	../uploads/cif-deposit/cod/cif Adding structures of 4103787 via cif-deposit CGI script.	4103787.cif