Crystallography Open Database

Information card for entry 4024175

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Coordinates	4024175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 O6
Calculated formula	C22 H34 O6
SMILES	C12CC3CC(C1)CC(C3)C12OOC2(OOC3(OO1)CCCCC3)CCCCC2
Title of publication	New Preparation of 1,2,4,5,7,8-Hexaoxonanes
Authors of publication	Alexander O. Terent'ev; Maxim M. Platonov; Eduard J. Sonneveld; Rene Peschar; Vladimir V. Chernyshev; Zoya A. Starikova; Gennady I. Nikishin
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	7237 - 7243
a	12.815 ± 0.007 Å
b	13.032 ± 0.008 Å
c	6.332 ± 0.003 Å
α	95.38 ± 0.03°
β	92.33 ± 0.03°
γ	73.67 ± 0.02°
Cell volume	1010.2 ± 1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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