Crystallography Open Database

Information card for entry 7113883

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Coordinates	7113883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H54 O3 Si2 Ti
Calculated formula	C49 H54 O3 Si2 Ti
SMILES	[Ti]123456(Oc7c(cc(cc7C(C)(C)C)C(C)(C)C)[c]72[cH]3[cH]4[c]25[c]67cccc2)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	11.9436 ± 0.001 Å
b	13.1268 ± 0.001 Å
c	16.1538 ± 0.0012 Å
α	90°
β	102.861 ± 0.004°
γ	90°
Cell volume	2469.1 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.087
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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.	7113883.cif
115327	2014-06-03	cif/ Adding structures of 7113880, 7113881, 7113882, 7113883, 7113884, 7113885 via cif-deposit CGI script.	7113883.cif