Crystallography Open Database

Information card for entry 7112955

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Coordinates	7112955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H35 N O6 P S
Calculated formula	C37 H35 N O6 P S
Title of publication	Electron injection barrier reduction for organic light-emitting devices by quinacridone derivatives.
Authors of publication	Pho, Toan V.; Zalar, Peter; Garcia, Andres; Nguyen, Thuc-Quyen; Wudl, Fred
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	43
Pages of publication	8210 - 8212
a	7.3154 ± 0.0011 Å
b	17.414 ± 0.003 Å
c	25.418 ± 0.004 Å
α	90°
β	92.369 ± 0.002°
γ	90°
Cell volume	3235.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1897
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1708
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112955.cif
112182	2014-04-30	cif/ Adding structures of 7112955 via cif-deposit CGI script.	7112955.cif