Crystallography Open Database

Information card for entry 1504990

Preview

Coordinates	1504990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 O2
Calculated formula	C16 H22 O2
Title of publication	Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.
Authors of publication	Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	24
Pages of publication	5621 - 5624
a	17.2971 ± 0.0014 Å
b	10.1245 ± 0.0008 Å
c	17.4254 ± 0.0014 Å
α	90°
β	92.827 ± 0.001°
γ	90°
Cell volume	3047.9 ± 0.4 Å³
Cell temperature	217 ± 2 K
Ambient diffraction temperature	217 ± 2 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1432
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1934
Weighted residual factors for all reflections included in the refinement	0.2226
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	1504990.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504990.cif
42527	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504990 via cif-deposit CGI script.	1504990.cif