Crystallography Open Database

Information card for entry 1566921

Preview

Coordinates	1566921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 O4
Calculated formula	C30 H28 O4
SMILES	O(c1c(/C(=C(c2c(OC)cc(OC)cc2)\c2ccccc2)c2ccccc2)ccc(OC)c1)C
Title of publication	Underwater luminescent labeling materials constructed from a supramolecular approach.
Authors of publication	Zhang, Qiao; Wang, Wenbo; Cai, Changyong; Wu, Shuanggen; Li, Jialing; Li, Fenfang; Dong, Shengyi
Journal of publication	Materials horizons
Year of publication	2022
Journal volume	9
Journal issue	7
Pages of publication	1984 - 1991
a	7.8756 ± 0.0005 Å
b	11.8787 ± 0.0007 Å
c	13.8525 ± 0.0008 Å
α	84.512 ± 0.002°
β	84.625 ± 0.002°
γ	71.646 ± 0.002°
Cell volume	1221.59 ± 0.13 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
276678 (current)	2022-07-06	cif/ Updating files of 1566920, 1566921 Original log message: Adding full bibliography for 1566920--1566921.cif.	1566921.cif
274907	2022-05-05	cif/ Adding structures of 1566920, 1566921 via cif-deposit CGI script.	1566921.cif