Crystallography Open Database

Information card for entry 7207306

7207305 << 7207306 >> 7207307

Preview

Coordinates	7207306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 N2
Calculated formula	C36 H24 N2
SMILES	c1(ccccc1n1c2ccccc2c2ccccc12)c1ccccc1n1c2ccccc2c2ccccc12
Title of publication	Simple CBP isomers with high triplet energies for highly efficient blue electrophosphorescence
Authors of publication	Gong, Shaolong; He, Xun; Chen, Yonghua; Jiang, Zuoquan; Zhong, Cheng; Ma, Dongge; Qin, Jingui; Yang, Chuluo
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	7
Pages of publication	2894
a	8.2215 ± 0.0005 Å
b	18.0008 ± 0.0011 Å
c	17.3401 ± 0.0011 Å
α	90°
β	100.406 ± 0.001°
γ	90°
Cell volume	2524 ± 0.3 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.0941
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
180404 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/73.	7207306.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207306.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7207306.cif
33514	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7207306 via cif-deposit CGI script.	7207306.cif