Crystallography Open Database

Information card for entry 7234637

Preview

Coordinates	7234637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H9 N3
Calculated formula	C10 H9 N3
Title of publication	Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule
Authors of publication	Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2931 - 2935
a	23.5825 ± 0.0014 Å
b	23.5825 ± 0.0014 Å
c	6.2166 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3457.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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/7234637.html