Crystallography Open Database

Information card for entry 4026617

Preview

Coordinates	4026617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N O8
Calculated formula	C34 H44 N O8
Title of publication	Synthesis of PDE IVb Inhibitors. 1. Asymmetric Synthesis and Stereochemical Assignment of (+)- and (-)-7-[3-(Cyclopentyloxy)-4-methoxyphenyl]hexahydro-3H-pyrrolizin-3-one
Authors of publication	Alexey Yu. Sukhorukov; Yaroslav D. Boyko; Sema L. Ioffe; Yulia A. Khomutova; Yulia V. Nelyubina; Vladimir A. Tartakovsky
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	7893 - 7900
a	12.2643 ± 0.001 Å
b	12.6227 ± 0.001 Å
c	12.7582 ± 0.0011 Å
α	63.662 ± 0.001°
β	64.383 ± 0.001°
γ	67.539 ± 0.001°
Cell volume	1551.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
178445 (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 4/02/66.	4026617.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026617.cif
39734	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4026617 via cif-deposit CGI script.	4026617.cif