Crystallography Open Database

Information card for entry 1506680

Preview

Coordinates	1506680.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound11
Chemical name	compound11
Formula	C33 H55 N O4
Calculated formula	C33 H55 N O4
SMILES	O(C(=O)[C@]1(NC(=O)C)CC[C@@H]1OCC)[C@@H]1C[C@@H](CC[C@H]1C(c1ccccc1)(C)C)C.C(CCCCCC)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	14.9601 ± 0.001 Å
b	14.9602 ± 0.001 Å
c	12.7394 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	2469.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.1616
Residual factor for significantly intense reflections	0.1412
Weighted residual factors for significantly intense reflections	0.352
Weighted residual factors for all reflections included in the refinement	0.3694
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
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.	1506680.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506680.cif
50498	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506680 via cif-deposit CGI script.	1506680.cif