Crystallography Open Database

Information card for entry 1507370

Preview

Structure parameters

Formula	C42 H56 O2 Si2
Calculated formula	C42 H56 O2 Si2
SMILES	[Si](C#Cc1c2c(OC)c3ccccc3c(OC)c2c(c2ccccc12)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)(C(C)C)C(C)C
Title of publication	Tetracene derivatives as potential red emitters for organic LEDs.
Authors of publication	Odom, Susan A.; Parkin, Sean R.; Anthony, John E.
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	23
Pages of publication	4245 - 4248
a	7.6512 ± 0.0015 Å
b	11.831 ± 0.002 Å
c	21.589 ± 0.004 Å
α	103.31 ± 0.03°
β	92.6 ± 0.03°
γ	90.83 ± 0.03°
Cell volume	1899.2 ± 0.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.1128
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1507370.cif
201954	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507370.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507370.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507370.cif
53864	2012-04-20	cif/ Adding structures of 1507370 via cif-deposit CGI script.	1507370.cif