Crystallography Open Database

Information card for entry 5000262

Preview

Coordinates	5000262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 O4
Calculated formula	C20 H30 O4
Title of publication	The three-dimensional structure of neohalicholactone, an unusual fatty acid metabolite from the marine sponge halichondria okadai kadota
Authors of publication	Kigoshi, Hideo; Niwa, Haruki; Yamada, Kiyoyuki; Stout, Thomas J.; Clardy, Jon
Journal of publication	Tetrahedron Letters
Year of publication	1991
Journal volume	32
Journal issue	22
Pages of publication	2427 - 2428
a	11.993 ± 0.002 Å
b	6.283 ± 0.002 Å
c	13.558 ± 0.002 Å
α	90°
β	106.01°
γ	90°
Cell volume	982 Å³
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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