Crystallography Open Database

Information card for entry 4118292

Preview

Coordinates	4118292.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ubsc11
Formula	C13 H16 O2
Calculated formula	C13 H16 O2
Title of publication	Copper-Catalyzed Intramolecular Alkene Carboetherification: Synthesis of Fused-Ring and Bridged-Ring Tetrahydrofurans
Authors of publication	Yan Miller; Lei Miao; Azade S. Hosseini; Sherry R. Chemler
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12149 - 12156
a	7.6145 ± 0.0006 Å
b	7.9079 ± 0.0007 Å
c	9.6513 ± 0.0008 Å
α	99.938 ± 0.002°
β	98.057 ± 0.001°
γ	106.992 ± 0.002°
Cell volume	536.12 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178953 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/82.	4118292.cif
75816	2013-03-13	cif/ Adding structures of 4118292 via cif-deposit CGI script.	4118292.cif