Crystallography Open Database

Information card for entry 4518749

Preview

Coordinates	4518749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 O6
Calculated formula	C27 H24 O6
Title of publication	Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles
Authors of publication	Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington
Journal of publication	ACS Omega
Year of publication	2021
a	13.3338 ± 0.0012 Å
b	14.5767 ± 0.0009 Å
c	11.8146 ± 0.0014 Å
α	90°
β	103.407 ± 0.009°
γ	90°
Cell volume	2233.7 ± 0.4 Å³
Cell temperature	294.38 ± 0.1 K
Ambient diffraction temperature	294.38 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
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
265593 (current)	2021-05-29	cif/ Adding structures of 4518748, 4518749, 4518750, 4518751, 4518752, 4518753 via cif-deposit CGI script.	4518749.cif