Crystallography Open Database

Information card for entry 1508700

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Structure parameters

Formula	C15 H24 N O2
Calculated formula	C15 H24 N O2
SMILES	O=[N]1C2(CC(=O)CC31CCCCC3)CCCCC2
Title of publication	Synthesis and reduction kinetics of sterically shielded pyrrolidine nitroxides.
Authors of publication	Paletta, Joseph T.; Pink, Maren; Foley, Bridget; Rajca, Suchada; Rajca, Andrzej
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	5322 - 5325
a	11.5624 ± 0.0012 Å
b	11.0144 ± 0.0011 Å
c	10.9255 ± 0.0011 Å
α	90°
β	104.417 ± 0.002°
γ	90°
Cell volume	1347.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0509
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1508700.cif
176729	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.	1508700.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508700.cif
72182	2013-01-21	cif/ Adding structures of 1508700 via cif-deposit CGI script.	1508700.cif