Crystallography Open Database

Information card for entry 7235189

Preview

Coordinates	7235189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H10 N4 S
Calculated formula	C22 H8 N4 S
Title of publication	Vapor-phase pi-pi molecular recognition: a fast and solvent-free strategy towards the formation of co-crystalline hollow microtube with 1D optical waveguide and up-conversion emission
Authors of publication	Xiaoyu Fang; Xiaogang Yang; Dongpeng Yan
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Pages of publication	1632 - 1637
a	9.435 ± 0.006 Å
b	12.771 ± 0.008 Å
c	7.237 ± 0.005 Å
α	90°
β	93.021 ± 0.009°
γ	90°
Cell volume	870.8 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1679
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MOKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7235189.html