Crystallography Open Database

Information card for entry 4028747

Preview

Coordinates	4028747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 N S3
Calculated formula	C17 H11 N S3
Title of publication	Systematic Evaluation of 2,6-Linked Pyridine-Thiophene Oligomers
Authors of publication	Silvia V. Rocha; Nathaniel S. Finney
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	11255 - 11261
a	10.457 ± 0.0002 Å
b	11.4169 ± 0.0002 Å
c	12.6533 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1510.63 ± 0.05 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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/4028747.html