Crystallography Open Database

Information card for entry 4064344

Preview

Coordinates	4064344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 S4 Si
Calculated formula	C32 H24 S4 Si
SMILES	[Si]1(c2cc(c3sc(c4sccc4)cc3)ccc2C=Cc2c1cc(cc2)c1sc(cc1)c1sccc1)(C)C
Title of publication	Design, Synthesis, and Characterization of Functionalized Silepins: High Quantum Yield Blue Emitters
Authors of publication	Mercier, Lauren G.; Furukawa, Shunsuke; Piers, Warren E.; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Parvez, Masood; Harrington, Ross W.; Clegg, William
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1719
a	18.4395 ± 0.0012 Å
b	6.9038 ± 0.0004 Å
c	23.017 ± 0.002 Å
α	90°
β	112.411 ± 0.009°
γ	90°
Cell volume	2708.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178537 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/43.	4064344.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064344.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064344.cif
32869	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064344 via cif-deposit CGI script.	4064344.cif