Crystallography Open Database

Information card for entry 1504547

Preview

Coordinates	1504547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H10 F32 N2 O4
Calculated formula	C40 H10 F32 N2 O4
SMILES	N1(CC(F)(F)C(F)(F)C(F)(F)F)C(=O)c2ccc3c4c(c(cc(C1=O)c24)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1c2c3c(cc3C(=O)N(C(=O)c(cc1)c23)CC(C(C(F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Title of publication	Air-stable n-type semiconductor: core-perfluoroalkylated perylene bisimides.
Authors of publication	Li, Yan; Tan, Lin; Wang, Zhaohui; Qian, Hualei; Shi, Yubai; Hu, Wenping
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	4
Pages of publication	529 - 532
a	10.57 ± 0.003 Å
b	12.885 ± 0.003 Å
c	16.682 ± 0.004 Å
α	66.858 ± 0.01°
β	76.524 ± 0.015°
γ	84.62 ± 0.017°
Cell volume	2031.7 ± 0.9 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504547.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504547.cif
42161	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504547 via cif-deposit CGI script.	1504547.cif