Crystallography Open Database

Information card for entry 1504150

Preview

Coordinates	1504150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H26 N2 O4
Calculated formula	C16 H26 N2 O4
SMILES	[C@]123C(=O)NCC[C@H]1[C@H]1CCC(=O)N[C@@]21[C@H](CC(C)C)OC3.O.[C@@]123C(=O)NCC[C@@H]1[C@@H]1CCC(=O)N[C@]21[C@@H](CC(C)C)OC3.O
Title of publication	3-4'-Bipiperidines via sequential [4 + 4]-[3,3]-retro-Mannich reactions.
Authors of publication	Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	20
Pages of publication	4540 - 4543
a	28.99 ± 0.002 Å
b	28.99 ± 0.002 Å
c	10.1877 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	7414.9 ± 0.9 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71069 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.	1504150.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504150.cif
39414	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504150 via cif-deposit CGI script.	1504150.cif