Crystallography Open Database

Information card for entry 2203677

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Structure parameters

Common name	Diethyl 2,5-di(triisopropylsilylethynyl)terephthalate
Formula	C34 H54 O4 Si2
Calculated formula	C34 H54 O4 Si2
SMILES	c1c(c(C(=O)OCC)cc(c1C(=O)OCC)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
Title of publication	Diethyl 2,5-bis(triisopropylsilylethynyl)terephthalate
Authors of publication	Nicolaisen, Berit; Bond, Andrew D.; Nielsen, Mogens Brøndsted
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	5
Pages of publication	o784 - o785
a	7.6344 ± 0.0004 Å
b	7.7017 ± 0.0004 Å
c	16.268 ± 0.0009 Å
α	89.224 ± 0.002°
β	77.873 ± 0.002°
γ	69.352 ± 0.001°
Cell volume	873.19 ± 0.08 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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