Crystallography Open Database

Information card for entry 1506263

Preview

Coordinates	1506263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 N2 O5
Calculated formula	C23 H32 N2 O5
SMILES	C1(=O)[C@H]2CN(CC[C@H]2[C@@H](C(=O)OC(C)(C)C)N1C(C)(C)c1ccccc1)C(=O)OC.C1(=O)[C@@H]2CN(CC[C@@H]2[C@H](C(=O)OC(C)(C)C)N1C(C)(C)c1ccccc1)C(=O)OC
Title of publication	Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.
Authors of publication	Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	23
Pages of publication	5325 - 5328
a	27.369 ± 0.002 Å
b	6.226 ± 0.0005 Å
c	25.329 ± 0.0018 Å
α	90°
β	90.231 ± 0.001°
γ	90°
Cell volume	4316 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506263.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506263.cif
48136	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506263, 1506264 via cif-deposit CGI script.	1506263.cif