Crystallography Open Database

Information card for entry 4131163

Preview

Coordinates	4131163.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-(6,11-dibromo-1,4-diphenyl-3-(thiophen-3-yl)triphenylen-2-yl)pyridine
Formula	C39 H23 Br2 N S
Calculated formula	C39 H23 Br2 N S
Title of publication	Synthesis of Graphene Nanoribbons by Ambient-Pressure Chemical Vapor Deposition and Device Integration.
Authors of publication	Chen, Zongping; Zhang, Wen; Palma, Carlos-Andres; Lodi Rizzini, Alberto; Liu, Bilu; Abbas, Ahmad; Richter, Nils; Martini, Leonardo; Wang, Xiao-Ye; Cavani, Nicola; Lu, Hao; Mishra, Neeraj; Coletti, Camilla; Berger, Reinhard; Klappenberger, Florian; Kläui, Mathias; Candini, Andrea; Affronte, Marco; Zhou, Chongwu; De Renzi, Valentina; Del Pennino, Umberto; Barth, Johannes V.; Räder, Hans Joachim; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	47
Pages of publication	15488 - 15496
a	9.8233 ± 0.0003 Å
b	24.3526 ± 0.001 Å
c	13.3575 ± 0.0004 Å
α	90°
β	107.704 ± 0.002°
γ	90°
Cell volume	3044.09 ± 0.18 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241443 (current)	2019-11-25	cif/ Adding structures of 4131163 via cif-deposit CGI script.	4131163.cif