Crystallography Open Database: Information card for 1502098

Structure parameters

Common name	CE-Bithiophene-Dimer
Formula	C52 H50 O12 S2
Calculated formula	C52 H50 O12 S2
Title of publication	Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).
Authors of publication	Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	9
Pages of publication	2364 - 2367
a	13.554 ± 0.004 Å
b	11.791 ± 0.003 Å
c	14.702 ± 0.004 Å
α	90°
β	110.179 ± 0.004°
γ	90°
Cell volume	2205.4 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Hermann-Mauguin symmetry space group	P 1 21/c 1
Hall symmetry space group	-P 2ybc
Residual factor for all reflections	0.0883
Residual factor for observed reflections	0.0526
Weighted residual factors for the observed reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for observed reflections	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database