Crystallography Open Database

Information card for entry 4121458

Preview

Coordinates	4121458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 O4 Si
Calculated formula	C25 H34 O4 Si
SMILES	[Si](O[C@@H]1C2=C[C@@H]3O[C@]2(c2c4c(oc2[C@@H]3C)ccc(OC)c4)CCC1)(C)(C)C(C)(C)C.[Si](O[C@H]1C2=C[C@H]3O[C@@]2(c2c4c(oc2[C@H]3C)ccc(OC)c4)CCC1)(C)(C)C(C)(C)C
Title of publication	Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.
Authors of publication	Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	11
Pages of publication	4309 - 4315
a	9.68701 ± 0.00018 Å
b	10.1076 ± 0.0002 Å
c	13.631 ± 0.001 Å
α	100.102 ± 0.007°
β	104.084 ± 0.007°
γ	109.826 ± 0.008°
Cell volume	1168.12 ± 0.14 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4121458.cif
107791	2014-03-22	cif/ Adding structures of 4121458 via cif-deposit CGI script.	4121458.cif