Crystallography Open Database

Information card for entry 4124841

Preview

Coordinates	4124841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H55 N3 O
Calculated formula	C52 H55 N3 O
Title of publication	A New Molecular Design Based on Thermally Activated Delayed Fluorescence for Highly Efficient Organic Light Emitting Diodes.
Authors of publication	Rajamalli, Pachaiyappan; Senthilkumar, Natarajan; Gandeepan, Parthasarathy; Huang, Pei-Yun; Huang, Min-Jie; Ren-Wu, Chen-Zheng; Yang, Chi-Yu; Chiu, Ming-Jui; Chu, Li-Kang; Lin, Hao-Wu; Cheng, Chien-Hong
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	2
Pages of publication	628 - 634
a	16.3143 ± 0.0003 Å
b	19.5553 ± 0.0004 Å
c	13.7512 ± 0.0002 Å
α	90°
β	93.026 ± 0.001°
γ	90°
Cell volume	4380.94 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0703
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1454
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175782 (current)	2016-02-04	cif/ Updating files of 4124841 Original log message: Adding full bibliography for 4124841.cif.	4124841.cif
173692	2016-01-09	cif/ Adding structures of 4124841 via cif-deposit CGI script.	4124841.cif