Crystallography Open Database

Information card for entry 7234524

Preview

Coordinates	7234524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H63 O4.5
Calculated formula	C52 H50 O2
SMILES	c12c3cccc1cccc2c1c3c(c(c(c1c1ccccc1)c1ccc(cc1)OCCCCCC)c1ccc(cc1)OCCCCCC)c1ccccc1
Title of publication	Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes
Authors of publication	Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	193 - 200
a	12.5215 ± 0.0016 Å
b	24.786 ± 0.003 Å
c	15.897 ± 0.002 Å
α	90°
β	108.858 ± 0.003°
γ	90°
Cell volume	4668.9 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.247
Residual factor for significantly intense reflections	0.1392
Weighted residual factors for significantly intense reflections	0.3497
Weighted residual factors for all reflections included in the refinement	0.4037
Goodness-of-fit parameter for all reflections included in the refinement	1.226
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219246 (current)	2019-10-10	cif/ Adding structures of 7234520, 7234521, 7234522, 7234523, 7234524 via cif-deposit CGI script.	7234524.cif