Crystallography Open Database

Information card for entry 1557298

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Structure parameters

Formula	C6 H12 O6
Calculated formula	C6 H12 O6
SMILES	O1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
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	7.7012 ± 0.0002 Å
b	7.7746 ± 0.0002 Å
c	12.6751 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	758.91 ± 0.04 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	3
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	0.0287
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1557298.cif
257406	2020-10-06	cif/ Updating files of 1557298, 1557299, 1557300, 1557301 Original log message: Adding full bibliography for 1557298--1557301.cif.	1557298.cif
250250	2020-04-05	cif/ Updating files of 1557298, 1557299, 1557300, 1557301 Original log message: Adding full bibliography for 1557298--1557301.cif.	1557298.cif
248063	2020-02-12	cif/ Adding structures of 1557298, 1557299, 1557300, 1557301 via cif-deposit CGI script.	1557298.cif