Crystallography Open Database

Information card for entry 7234522

Preview

Coordinates	7234522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 O
Calculated formula	C40 H34 O
SMILES	c12c3cccc1cccc2c1c3c(cc(c1c1ccccc1)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	10.6612 ± 0.0005 Å
b	12.3458 ± 0.0005 Å
c	13.5451 ± 0.0005 Å
α	65.985 ± 0.004°
β	69.792 ± 0.004°
γ	64.799 ± 0.004°
Cell volume	1441.18 ± 0.12 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	7234522.cif