Crystallography Open Database

Information card for entry 7240412

Preview

Coordinates	7240412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 O2
Calculated formula	C14 H10 O2
Title of publication	Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature
Authors of publication	Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	14
Pages of publication	4426 - 4432
a	8.3601 ± 0.0007 Å
b	8.3601 ± 0.0007 Å
c	13.3968 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	810.88 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
257606 (current)	2020-10-06	cif/ Updating files of 7240411, 7240412, 7240413, 7240414, 7240415 Original log message: Adding full bibliography for 7240411--7240415.cif.	7240412.cif
255021	2020-08-06	cif/ Updating files of 7240411, 7240412, 7240413, 7240414, 7240415 Original log message: Adding full bibliography for 7240411--7240415.cif.	7240412.cif
251203	2020-04-28	cif/ Adding structures of 7240411, 7240412, 7240413, 7240414, 7240415 via cif-deposit CGI script.	7240412.cif