Crystallography Open Database

Information card for entry 4074094

Preview

Coordinates	4074094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 N Ti
Calculated formula	C21 H23 N Ti
SMILES	[Ti]12345(N6C(CCc7cccc(c67)[c]61[cH]2[cH]3[c]14[c]56cccc1)C)(C)C
Title of publication	Ortho Lithiation of Tetrahydroquinoline Derivatives and Its Use for the Facile Construction of Polymerization Catalysts
Authors of publication	Wu, Chun Ji; Lee, Sang Hoon; Yun, Hoseop; Lee, Bun Yeoul
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	27
Pages of publication	6685
a	15.4701 ± 0.0017 Å
b	14.6775 ± 0.0014 Å
c	15.8899 ± 0.0014 Å
α	90°
β	103.832 ± 0.003°
γ	90°
Cell volume	3503.4 ± 0.6 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1692
Weighted residual factors for all reflections included in the refinement	0.1886
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
178629 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/40.	4074094.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074094.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4074094.cif
46736	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4074094 via cif-deposit CGI script.	4074094.cif