Crystallography Open Database

Information card for entry 4029946

Preview

Coordinates	4029946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 Br2 O6 S2
Calculated formula	C26 H36 Br2 O6 S2
Title of publication	Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.
Authors of publication	Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	19
Pages of publication	9408 - 9412
a	8.0141 ± 0.0013 Å
b	25.471 ± 0.005 Å
c	7.4012 ± 0.0012 Å
α	90°
β	99.659 ± 0.007°
γ	90°
Cell volume	1489.4 ± 0.5 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.199
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178478 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/99.	4029946.cif
124825	2014-10-06	cif/ Updating files of 4029945, 4029946, 4029947 Original log message: Adding full bibliography for 4029945--4029947.cif.	4029946.cif
124074	2014-09-20	cif/ Adding structures of 4029946 via cif-deposit CGI script.	4029946.cif