Crystallography Open Database

Information card for entry 4025212

Preview

Coordinates	4025212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 F3 N O4
Calculated formula	C10 H12 F3 N O4
Title of publication	Cyclobutane Amino Acid Analogues of Furanomycin Obtained by a Formal [2 + 2] Cycloaddition Strategy Promoted by Methylaluminoxane
Authors of publication	Alberto Avenoza; Jesús H. Busto; Noelia Canal; Francisco Corzana; Jesús M. Peregrina; Marta Pérez-Fernández; Fernando Rodríguez
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	545 - 552
a	15.151 ± 0.0004 Å
b	8.909 ± 0.0006 Å
c	17.225 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2325 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
178431 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/52.	4025212.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4025212.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4025212.cif
10985	2011-02-14	../uploads/cif-deposit/cod/cif Adding structures of 4025212 via cif-deposit CGI script.	4025212.cif