Crystallography Open Database

Information card for entry 4111352

Preview

Coordinates	4111352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 O5
Calculated formula	C17 H18 O5
Title of publication	Gold(I)-Catalyzed Oxidative Rearrangements
Authors of publication	Cole A. Witham; Pablo Mauleón; Nathan D. Shapiro; Benjamin D. Sherry; F. Dean Toste
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5838 - 5839
a	9.747 ± 0.002 Å
b	7.882 ± 0.001 Å
c	20.522 ± 0.004 Å
α	90°
β	102.46 ± 0.002°
γ	90°
Cell volume	1539.5 ± 0.5 Å³
Cell temperature	273.2 K
Number of distinct elements	3
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	0.0564
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for all reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0509
Goodness-of-fit parameter for all reflections included in the refinement	2.288
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
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.	4111352.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111352.cif
60877	2012-06-18	cif/ Adding structures of 4111352 via cif-deposit CGI script.	4111352.cif