Crystallography Open Database

Information card for entry 1507112

Preview

Coordinates	1507112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 F2 O4
Calculated formula	C10 H16 F2 O4
SMILES	FC1(F)[C@]2(O[C@@H]([C@H](O)[C@H]1O)CC(C2)(C)C)O.FC1(F)[C@@]2(O[C@H]([C@@H](O)[C@@H]1O)CC(C2)(C)C)O
Title of publication	Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.
Authors of publication	Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	8
Pages of publication	1277 - 1280
a	8.9703 ± 0.0007 Å
b	11.8127 ± 0.001 Å
c	10.8941 ± 0.0009 Å
α	90°
β	111.22 ± 0.001°
γ	90°
Cell volume	1076.11 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	1507112.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507112.cif
51684	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507110, 1507111, 1507112 via cif-deposit CGI script.	1507112.cif