Crystallography Open Database

Information card for entry 4110923

Preview

Coordinates	4110923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H60 O3 Si2
Calculated formula	C54 H60 O3 Si2
SMILES	[Si](C#Cc1c2[C@H]3[C@]45[C@]([C@H](c6c3cccc6)c2c(cc1)C#C[Si](C(C)C)(C(C)C)C(C)C)(C1c2ccccc2C4c2c1cccc2)C(=O)OC5=O)(C(C)C)(C(C)C)C(C)C
Title of publication	Conjugated Polymers in an Arene Sandwich
Authors of publication	Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	12426 - 12427
a	9.1608 ± 0.0003 Å
b	16.2457 ± 0.0005 Å
c	17.4539 ± 0.0005 Å
α	66.667 ± 0.001°
β	88.147 ± 0.001°
γ	75.454 ± 0.001°
Cell volume	2302.07 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0553
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178880 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/09.	4110923.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110923.cif
59930	2012-06-14	cif/ Adding structures of 4110923 via cif-deposit CGI script.	4110923.cif