Crystallography Open Database

Information card for entry 1508699

Preview

Coordinates	1508699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 N O3
Calculated formula	C15 H23 N O3
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	8.025 ± 0.0004 Å
b	9.9052 ± 0.0005 Å
c	8.9614 ± 0.0004 Å
α	90°
β	92.41 ± 0.001°
γ	90°
Cell volume	711.7 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for all reflections	0.2912
Weighted residual factors for significantly intense reflections	0.2519
Weighted residual factors for all reflections included in the refinement	0.2618
Goodness-of-fit parameter for all reflections included in the refinement	1.0709
Diffraction radiation wavelength	0.41238 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	1508699.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508699.cif
72181	2013-01-21	cif/ Adding structures of 1508699 via cif-deposit CGI script.	1508699.cif