Crystallography Open Database

Information card for entry 7151295

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Structure parameters

Formula	C11 H22 I N O
Calculated formula	C11 H22 I N O
SMILES	[I-].OC[C@H]1[N+](C[C@@H]2[C@@H]1CCCC2)(C)C
Title of publication	Diastereoselectivity of polar and radical couplings in electrophilic substitutions of rigid 2-lithio-N-methylpyrrolidines.
Authors of publication	Gawley, Robert E.; Eddings, Daniel B.; Santiago, Marcelina; Vicic, Davic A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2006
Journal volume	4
Journal issue	23
Pages of publication	4285 - 4291
a	7.1485 ± 0.0011 Å
b	13.16 ± 0.002 Å
c	14.239 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1339.5 ± 0.3 Å³
Cell temperature	173.1 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 significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.762
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7151295.cif
202017	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7151295.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7151295.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151295.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151295.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7151295.cif