Crystallography Open Database

Information card for entry 4114138

Preview

Coordinates	4114138.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9-silaanthracene dimer
Formula	C86 H150 Si14
Calculated formula	C86 H150 Si14
Title of publication	Photochemical and Thermal Reactions of a Kinetically Stabilized 9-Silaanthracene: The First Spectroscopic Observation of a 9,10-Dewar-9-silaanthracene Isomer
Authors of publication	Akihiro Shinohara; Nobuhiro Takeda; Norihiro Tokitoh
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	10804 - 10805
a	12.155 ± 0.006 Å
b	22.181 ± 0.011 Å
c	18.561 ± 0.01 Å
α	90°
β	108.422 ± 0.006°
γ	90°
Cell volume	4748 ± 4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	1.223
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178912 (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 4/11/41.	4114138.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114138.cif
67420	2012-09-25	cif/ Adding structures of 4114138 via cif-deposit CGI script.	4114138.cif