Crystallography Open Database

Information card for entry 1502120

Preview

Coordinates	1502120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 O2 Si2
Calculated formula	C30 H26 O2 Si2
SMILES	[Si](C#Cc1c2c(c3c(C2=O)cccc3)c(c2c1c1c(C2=O)cccc1)C#C[Si](C)(C)C)(C)(C)C
Title of publication	Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones.
Authors of publication	Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2106 - 2109
a	6.366 ± 0.004 Å
b	22.34 ± 0.014 Å
c	9.457 ± 0.006 Å
α	90°
β	96.44 ± 0.01°
γ	90°
Cell volume	1336.5 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.1309
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.1628
Weighted residual factors for all reflections included in the refinement	0.1876
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
176729 (current)	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.	1502120.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502120.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502120.cif
35438	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502120 via cif-deposit CGI script.	1502120.cif