Crystallography Open Database

Information card for entry 7152317

Preview

Coordinates	7152317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 N S2
Calculated formula	C24 H8 N S2
Title of publication	Synthesis and properties of thienopyrrole based heteroacenes - indolodibenzothienopyrrole and dicarbazolodithienopyrrole.
Authors of publication	Balaji, Ganapathy; Della Pelle, Andrea M.; Popere, Bhooshan C.; Chandrasekaran, A.; Thayumanavan, S.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	17
Pages of publication	3455 - 3462
a	8.7411 ± 0.0002 Å
b	10.8404 ± 0.0002 Å
c	11.3321 ± 0.0002 Å
α	94.6197 ± 0.001°
β	106.901 ± 0.0011°
γ	91.5749 ± 0.0012°
Cell volume	1022.62 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0717
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1981
Weighted residual factors for all reflections included in the refinement	0.2003
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
180309 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/23.	7152317.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152317.cif
56065	2012-05-08	cif/ Adding structures of 7152317, 7152318 via cif-deposit CGI script.	7152317.cif