Crystallography Open Database

Information card for entry 1559304

Preview

Coordinates	1559304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 O4
Calculated formula	C15 H22 O4
SMILES	C#C/C=C/C[C@H]1[C@@H]2C[C@@H]([C@H](C[C@H]([C@@H](CC)O2)O)O)O1
Title of publication	Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F
Authors of publication	Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.
Journal of publication	Chemical Science
Year of publication	2020
a	5.8853 ± 0.0002 Å
b	7.6219 ± 0.0002 Å
c	16.1377 ± 0.0004 Å
α	90°
β	97.424 ± 0.003°
γ	90°
Cell volume	717.82 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for all reflections	0.1175
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.0016
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258262 (current)	2020-10-09	cif/ Adding structures of 1559304, 1559305, 1559306, 1559307 via cif-deposit CGI script.	1559304.cif