Crystallography Open Database

Information card for entry 1502249

Preview

Coordinates	1502249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H19 N O
Calculated formula	C10 H19 N O
SMILES	O=C1N[C@H](CCCCC[C@H]1C)C
Title of publication	Efficient and regioselective 9-endo cyclization of α-carbamoyl radicals.
Authors of publication	Song, Liyan; Liu, Kun; Li, Chaozhong
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	13
Pages of publication	3434 - 3437
a	5.03 ± 0.002 Å
b	8.843 ± 0.004 Å
c	11.54 ± 0.005 Å
α	90°
β	95.42 ± 0.008°
γ	90°
Cell volume	511 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.1644
Goodness-of-fit parameter for all reflections included in the refinement	1.319
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.	1502249.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502249.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502249.cif
35556	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502249 via cif-deposit CGI script.	1502249.cif