Crystallography Open Database

Information card for entry 7052623

Preview

Coordinates	7052623.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-Phenylamino-5,8-diethylamino-tri-s-triazin
Chemical name	1-Phenylamino-5,8-diethylamino-tri-s-triazin
Formula	C30 H35 N10
Calculated formula	C30 H35 N10
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	9.345 ± 0.0011 Å
b	10.061 ± 0.0013 Å
c	14.9597 ± 0.0018 Å
α	83.288 ± 0.007°
β	87.451 ± 0.007°
γ	80.642 ± 0.008°
Cell volume	1377.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1502
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	0.898
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
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.	7052623.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052623.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052623.cif
21242	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7052623, 7052624, 7052625, 7052626 via cif-deposit CGI script.	7052623.cif