Crystallography Open Database

Information card for entry 7224061

Preview

Coordinates	7224061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 O
Calculated formula	C20 H22 O
SMILES	O=C1c2cc(C)cc(c2C(CC1)c1cc(cc(c1)C)C)C
Title of publication	Direct construction of 4-aryl tetralones via visible-light-induced cyclization of styrenes with molecular oxygen
Authors of publication	Wang, Kuai; Meng, Ling-Guo; Zhang, Qi; Wang, Lei
Journal of publication	Green Chem.
Year of publication	2016
Journal volume	18
Journal issue	9
Pages of publication	2864
a	8.4061 ± 0.0012 Å
b	8.6026 ± 0.0012 Å
c	12.582 ± 0.002 Å
α	91.647 ± 0.005°
β	102.618 ± 0.005°
γ	112.149 ± 0.004°
Cell volume	816.1 ± 0.2 Å³
Cell temperature	0 ± 2 K
Ambient diffraction temperature	0 ± 2 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	0.0642
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1689
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
182766 (current)	2016-05-06	cif/ Updating files of 7224061 Original log message: Adding full bibliography for 7224061.cif.	7224061.cif
175307	2016-01-30	cif/ Adding structures of 7224061 via cif-deposit CGI script.	7224061.cif