Crystallography Open Database

Information card for entry 1557299

Preview

Coordinates	1557299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H12 O4
Calculated formula	C5 H12 O4
SMILES	C(CO)(CO)(CO)CO
Title of publication	A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence
Authors of publication	Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	11
Pages of publication	2926 - 2933
a	6.0826 ± 0.0012 Å
b	6.0826 ± 0.0012 Å
c	8.792 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	325.29 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
257406 (current)	2020-10-06	cif/ Updating files of 1557298, 1557299, 1557300, 1557301 Original log message: Adding full bibliography for 1557298--1557301.cif.	1557299.cif
250250	2020-04-05	cif/ Updating files of 1557298, 1557299, 1557300, 1557301 Original log message: Adding full bibliography for 1557298--1557301.cif.	1557299.cif
248063	2020-02-12	cif/ Adding structures of 1557298, 1557299, 1557300, 1557301 via cif-deposit CGI script.	1557299.cif