Crystallography Open Database

Information card for entry 7104087

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Coordinates	7104087.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 ligation.
Authors of publication	Turner, Luke E; Thorn, Matthew G; Fanwick, Phillip E; Rothwell, Ian P
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2003
Journal issue	9
Pages of publication	1034 - 1035
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 ± 0.6 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
Duplicate of	7113883
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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