Crystallography Open Database

Information card for entry 1558090

Preview

Coordinates	1558090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 N4 O4
Calculated formula	C7 H8 N4 O4
SMILES	C1(=O)CN(C(=O)N1)CN1CC(=O)NC1=O
Title of publication	Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows
Authors of publication	Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang
Journal of publication	Materials Horizons
Year of publication	2020
Journal volume	7
Journal issue	8
Pages of publication	2105 - 2112
a	9.597 ± 0.003 Å
b	17.769 ± 0.005 Å
c	11.34 ± 0.004 Å
α	90°
β	114.24 ± 0.04°
γ	90°
Cell volume	1763.3 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0959
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.3125
Weighted residual factors for all reflections included in the refinement	0.3149
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258153 (current)	2020-10-06	cif/ Updating files of 1558087, 1558088, 1558089, 1558090 Original log message: Adding full bibliography for 1558087--1558090.cif.	1558090.cif
255110	2020-08-06	cif/ Updating files of 1558087, 1558088, 1558089, 1558090 Original log message: Adding full bibliography for 1558087--1558090.cif.	1558090.cif
252205	2020-05-20	cif/ Adding structures of 1558087, 1558088, 1558089, 1558090 via cif-deposit CGI script.	1558090.cif