Crystallography Open Database

Information card for entry 7052626

Preview

Coordinates	7052626.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,5-Diphenylamino-8-ethylamino-tri-s-triazine
Chemical name	1,5-Diphenylamino-8-ethylamino-tri-s-triazine
Formula	C34 H34 N10 O2
Calculated formula	C34 H34 N10 O2
Title of publication	A series of aryl-/alkyl-substituted melems
Authors of publication	Schwarzer, Anke; Kroke, Edwin
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	4
Pages of publication	953
a	12.5928 ± 0.0007 Å
b	12.5928 ± 0.0007 Å
c	19.4047 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3077.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.2683
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	0.808
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052626.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052626.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052626.cif
21242	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7052623, 7052624, 7052625, 7052626 via cif-deposit CGI script.	7052626.cif