Crystallography Open Database

Information card for entry 1506678

Preview

Coordinates	1506678.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	etoxi-1-acetamidometoxicarbonilciclobutano
Chemical name	cis-2-etoxi-1-acetamidometoxicarbonilciclobutano
Formula	C10 H17 N O4
Calculated formula	C10 H17 N O4
SMILES	O=C(N[C@@]1([C@H](OCC)CC1)C(=O)OC)C.O=C(N[C@]1([C@@H](OCC)CC1)C(=O)OC)C
Title of publication	Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.
Authors of publication	Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	16
Pages of publication	3597 - 3600
a	7.1537 ± 0.0002 Å
b	17.2234 ± 0.0006 Å
c	9.5554 ± 0.0003 Å
α	90°
β	96.095 ± 0.002°
γ	90°
Cell volume	1170.68 ± 0.06 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506678.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506678.cif
50496	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506678 via cif-deposit CGI script.	1506678.cif