Crystallography Open Database

Information card for entry 4087396

Preview

Coordinates	4087396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N2 Ti
Calculated formula	C22 H28 N2 Ti
SMILES	[Ti]1(N(c2cccc3c2[n]1c(cc3)C)c1c(cc(cc1C)C)C)(C)(C)C
Title of publication	Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity
Authors of publication	Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	7
Pages of publication	1354
a	11.7159 ± 0.0002 Å
b	12.8671 ± 0.0002 Å
c	14.0049 ± 0.0002 Å
α	104.054 ± 0.0011°
β	96.1202 ± 0.0011°
γ	97.9432 ± 0.0011°
Cell volume	2006.68 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
236770 (current)	2019-11-24	cif/ Adding structures of 4087392, 4087393, 4087394, 4087395, 4087396 via cif-deposit CGI script.	4087396.cif