Crystallography Open Database

Information card for entry 1558087

Preview

Coordinates	1558087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H8 N2 O2
Calculated formula	C5 H8 N2 O2
SMILES	O=C1NC(C(=O)N1)(C)C
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	7.1989 ± 0.0006 Å
b	7.2267 ± 0.0007 Å
c	13.0042 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	676.53 ± 0.11 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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.	1558087.cif
255110	2020-08-06	cif/ Updating files of 1558087, 1558088, 1558089, 1558090 Original log message: Adding full bibliography for 1558087--1558090.cif.	1558087.cif
252205	2020-05-20	cif/ Adding structures of 1558087, 1558088, 1558089, 1558090 via cif-deposit CGI script.	1558087.cif