Crystallography Open Database

Information card for entry 4106594

Preview

Coordinates	4106594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H35 F12 N7 O5
Calculated formula	C41 H35 F12 N7 O5
Title of publication	Interrupted Energy Transfer: Highly Selective Detection of Cyclic Ketones in the Vapor Phase
Authors of publication	Jason R. Cox; Peter Müller; Timothy M. Swager
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12910 - 12913
a	7.9149 ± 0.0002 Å
b	13.8805 ± 0.0003 Å
c	18.1339 ± 0.0004 Å
α	89.619 ± 0.001°
β	82.083 ± 0.001°
γ	88.743 ± 0.001°
Cell volume	1972.76 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0441
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106594.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106594.cif
53396	2012-04-19	cif/ Adding structures of 4106594 via cif-deposit CGI script.	4106594.cif