Crystallography Open Database

Information card for entry 1517974

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Structure parameters

Formula	C40 H30 Cl4 N4
Calculated formula	C40 H30 Cl4 N4
Title of publication	Novel Benzimidazole Derivatives as Electron-Transporting Type Host To Achieve Highly Efficient Sky-Blue Phosphorescent Organic Light-Emitting Diode (PHOLED) Device.
Authors of publication	Huang, Jau-Jiun; Leung, Man-Kit; Chiu, Tien-Lung; Chuang, Ya-Ting; Chou, Pi-Tai; Hung, Yu-Hsiang
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	20
Pages of publication	5398 - 5401
a	24.2923 ± 0.0014 Å
b	10.3638 ± 0.0004 Å
c	15.5395 ± 0.0006 Å
α	90°
β	117.38 ± 0.005°
γ	90°
Cell volume	3474 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.0716
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1517974.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517974.cif
127246	2014-11-12	cif/ Updating files of 1517974, 1517975 Original log message: Adding full bibliography for 1517974--1517975.cif.	1517974.cif
125252	2014-10-10	cif/ Adding structures of 1517974 via cif-deposit CGI script.	1517974.cif