Crystallography Open Database

Information card for entry 1512271

Preview

Coordinates	1512271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H35 I O4 Si
Calculated formula	C19 H35 I O4 Si
Title of publication	Chemoenzymatic total synthesis of the phytotoxic geranylcyclohexentriol (-)-phomentrioloxin.
Authors of publication	Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.
Journal of publication	Journal of natural products
Year of publication	2013
Journal volume	76
Journal issue	8
Pages of publication	1514 - 1518
a	9.5122 ± 0.0002 Å
b	15.1148 ± 0.0002 Å
c	16.0879 ± 0.0003 Å
α	90°
β	90.1171 ± 0.0009°
γ	90°
Cell volume	2313.03 ± 0.07 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for all reflections	0.079
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	0.9766
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512271.cif
89053	2013-10-09	cif/ Adding structures of 1512271 via cif-deposit CGI script.	1512271.cif