Crystallography Open Database

Information card for entry 4080638

Preview

Coordinates	4080638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 Si
Calculated formula	C24 H16 Si
SMILES	c1cccc2c3c([Si]4(c5ccccc5c5ccccc45)c12)cccc3
Title of publication	Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes
Authors of publication	Pusztai, Erika; Toulokhonova, Irina S.; Temple, Nicole; Albright, Haley; Zakai, Uzma I.; Guo, Song; Guzei, Ilia A.; Hu, Rongrong; West, Robert
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2529
a	8.5597 ± 0.0003 Å
b	8.5597 ± 0.0003 Å
c	23.7678 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1741.43 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4080638.cif
87247	2013-07-14	cif/ Adding structures of 4080638 via cif-deposit CGI script.	4080638.cif