Crystallography Open Database

Information card for entry 4024900

Preview

Coordinates	4024900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Br2 S2
Calculated formula	C24 H32 Br2 S2
Title of publication	Functionalized Thiophene-Based [7]Helicene: Chirooptical Properties versus Electron Delocalization
Authors of publication	Andrzej Rajca; Maren Pink; Shuzhang Xiao; Makoto Miyasaka; Suchada Rajca; Kausik Das; Kristin Plessel
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	7504 - 7513
a	14.646 ± 0.0012 Å
b	4.7274 ± 0.0004 Å
c	18.0088 ± 0.0014 Å
α	90°
β	104.994 ± 0.002°
γ	90°
Cell volume	1204.43 ± 0.17 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4024900.html