Crystallography Open Database

Information card for entry 1507111

Preview

Coordinates	1507111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 F2 N2 O5
Calculated formula	C15 H26 F2 N2 O5
SMILES	FC1(F)[C@H](O)[C@@H](O)[C@@H]2O[C@@]1(N)[C@H](OC(=O)N(CC)CC)C(C)(C)C2.FC1(F)[C@@H](O)[C@H](O)[C@H]2O[C@]1(N)[C@@H](OC(=O)N(CC)CC)C(C)(C)C2
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	6.9296 ± 0.001 Å
b	10.4369 ± 0.0014 Å
c	12.3706 ± 0.0017 Å
α	104.018 ± 0.002°
β	103.538 ± 0.002°
γ	96.314 ± 0.002°
Cell volume	830.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	1507111.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507111.cif
51684	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507110, 1507111, 1507112 via cif-deposit CGI script.	1507111.cif