Crystallography Open Database

Information card for entry 7125423

Preview

Coordinates	7125423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cl N O4
Calculated formula	C12 H12 Cl N O4
Title of publication	Cation-π interactions secure aggregation induced emission of planar organic luminophores.
Authors of publication	Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2019
Journal volume	55
Journal issue	84
Pages of publication	12663 - 12666
a	11.7674 ± 0.001 Å
b	5.8992 ± 0.0005 Å
c	17.3999 ± 0.0015 Å
α	90°
β	96.609 ± 0.008°
γ	90°
Cell volume	1199.84 ± 0.18 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1092
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.2119
Weighted residual factors for all reflections included in the refinement	0.2219
Goodness-of-fit parameter for all reflections included in the refinement	1.0188
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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/7125423.html