Crystallography Open Database

Information card for entry 7247338

Preview

Coordinates	7247338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 O2
Calculated formula	C15 H10 O2
SMILES	o1c2ccccc2cc(c1=O)c1ccccc1
Title of publication	Oxidative destruction of chlorinated persistent organic pollutants by hydroxyl radicals via ozone and UV light irradiation
Authors of publication	Ragupathi, Ayyakkannu; Charpe, Vaibhav Pramod; Hwu, Jih Ru; Hwang, Kuo Chu
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	23
Pages of publication	9695 - 9704
a	18.4742 ± 0.0008 Å
b	5.9923 ± 0.0002 Å
c	19.2732 ± 0.0009 Å
α	90°
β	98.981 ± 0.002°
γ	90°
Cell volume	2107.44 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288823 (current)	2024-01-06	cif/ Updating files of 7247338 Original log message: Adding full bibliography for 7247338.cif.	7247338.cif
286254	2023-09-07	cif/ Adding structures of 7247338 via cif-deposit CGI script.	7247338.cif