Crystallography Open Database

Information card for entry 1503842

Preview

Coordinates	1503842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 N2 O4 S
Calculated formula	C24 H40 N2 O4 S
SMILES	c1(ccc(cc1)S(=O)(=O)N1[C@H](CC[C@H]1CON1C(C)(C)CCCC1(C)C)C(C)C)OC
Title of publication	Diastereoselective pyrrolidine synthesis via copper promoted intramolecular aminooxygenation of alkenes: formal synthesis of (+)-monomorine.
Authors of publication	Paderes, Monissa C.; Chemler, Sherry R.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	9
Pages of publication	1915 - 1918
a	8.1083 ± 0.0005 Å
b	10.844 ± 0.0006 Å
c	27.2736 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2398.1 ± 0.2 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	1503842.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503842.cif
39131	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503842 via cif-deposit CGI script.	1503842.cif