Crystallography Open Database

Information card for entry 7113884

Preview

Coordinates	7113884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H58 O3 Si2 Ti
Calculated formula	C51 H58 O3 Si2 Ti
SMILES	[Ti]123456(Oc7c(cc(cc7C(C)(C)C)C(C)(C)C)[c]72[c]3([c]4([c]25[c]67cccc2)C)C)Oc2c([Si](C)(C)C)cc3ccccc3c2c2c(O1)c([Si](C)(C)C)cc1ccccc21
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	12.0012 ± 0.0004 Å
b	13.6234 ± 0.0005 Å
c	16.3611 ± 0.0006 Å
α	90°
β	105.542 ± 0.0014°
γ	90°
Cell volume	2577.18 ± 0.16 Å³
Cell temperature	149 K
Ambient diffraction temperature	149 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.148
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7113884.cif
115327	2014-06-03	cif/ Adding structures of 7113880, 7113881, 7113882, 7113883, 7113884, 7113885 via cif-deposit CGI script.	7113884.cif