Crystallography Open Database

Information card for entry 7113881

Preview

Coordinates	7113881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H42 N2 O Ti
Calculated formula	C32 H51 N2 O Ti
Title of publication	Facile resolution of constrained geometry indenyl-phenoxide ligationElectronic supplementary information (ESI) available: synthesis of compounds 1‒8 and ORTEP views of4,5 and 6. See http://www.rsc.org/suppdata/cc/b2/b212724e/
Authors of publication	Turner, Luke E.; Thorn, Matthew G.; Fanwick, Phillip E.; Rothwell, Ian P.
Journal of publication	Chemical Communications
Year of publication	2003
Journal issue	9
Pages of publication	1034
a	10.0202 ± 0.0002 Å
b	13.0802 ± 0.0003 Å
c	22.0926 ± 0.0004 Å
α	90°
β	102.311 ± 0.0013°
γ	90°
Cell volume	2829.01 ± 0.1 Å³
Cell temperature	209 K
Ambient diffraction temperature	209 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113881.cif
115327	2014-06-03	cif/ Adding structures of 7113880, 7113881, 7113882, 7113883, 7113884, 7113885 via cif-deposit CGI script.	7113881.cif