Crystallography Open Database

Information card for entry 7211559

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Structure parameters

Formula	C56 H62 Si2
Calculated formula	C56 H62 Si2
SMILES	c1c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3c(cc(cc3)c3cc4ccccc4cc3)c(c2ccc1c1ccc2ccccc2c1)C#C[Si](C(C)C)(C(C)C)C(C)C
Title of publication	High mobility organic single crystal transistors based on soluble triisopropylsilylethynyl anthracene derivatives
Authors of publication	Chung, Dae Sung; Park, Jong Won; Park, Jong-Hwa; Moon, Dohyun; Kim, Ghyung Hwa; Lee, Heung-Soo; Lee, Dong Hoon; Shim, Hong-Ku; Kwon, Soon-Ki; Park, Chan Eon
Journal of publication	Journal of Materials Chemistry
Year of publication	2010
Journal volume	20
Journal issue	3
Pages of publication	524
a	8.1903 ± 0.0016 Å
b	11.438 ± 0.002 Å
c	12.144 ± 0.002 Å
α	78.37 ± 0.03°
β	88.17 ± 0.03°
γ	85.1 ± 0.03°
Cell volume	1110.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.75 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7211559.cif
180446	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/15.	7211559.cif
92105	2014-01-12	cif/ Adding structures of 7211558, 7211559 via cif-deposit CGI script.	7211559.cif