Crystallography Open Database

Information card for entry 4028028

Preview

Coordinates	4028028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18
Calculated formula	C26 H18
SMILES	c12ccccc1c(c1ccccc1c2c1ccccc1)c1ccccc1
Title of publication	Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material
Authors of publication	Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	2206 - 2212
a	10.5768 ± 0.001 Å
b	13.5065 ± 0.0013 Å
c	12.0761 ± 0.0012 Å
α	90°
β	90.12 ± 0.001°
γ	90°
Cell volume	1725.1 ± 0.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
178459 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/80.	4028028.cif
94079	2014-01-21	cif/ Adding structures of 4028028 via cif-deposit CGI script.	4028028.cif