Crystallography Open Database

Information card for entry 8106333

Preview

Coordinates	8106333.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-chloro-4,6-bis[<i>N</i>-(1,2,2,6,6-pentam-ethyl-4-piperidinyl) -butylamino]-1,3,5- triazine
Formula	C31 H58 Cl N7
Calculated formula	C31 H58 Cl N7
SMILES	c1(Cl)nc(nc(n1)N(C1CC(C)(C)N(C(C1)(C)C)C)CCCC)N(C1CC(C)(C)N(C(C1)(C)C)C)CCCC
Title of publication	Crystal structure of N 2,N 4-dibutyl-6-chloro-N 2,N 4-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine, C31H58ClN7 – Important intermediate of Chimassorb 119 synthesis
Authors of publication	Xiao, Jian; Wang, Kai; Chen, Qiang; Zhang, Xiu-Qin; Lu, Guo-Yuan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	5
Pages of publication	885 - 888
a	29.937 ± 0.0018 Å
b	15.6432 ± 0.0008 Å
c	14.2792 ± 0.0008 Å
α	90°
β	90.819 ± 0.002°
γ	90°
Cell volume	6686.4 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1262
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
279725 (current)	2022-12-06	cif/ Adding structures of 8106333 via cif-deposit CGI script.	8106333.cif