Crystallography Open Database

Information card for entry 1506847

Preview

Coordinates	1506847.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	12-[(N-beta-D-glucopyranosyl)carbamoyl]dodecanoic acid
Formula	C20 H36 N Na O8
Calculated formula	C20 H36 N Na O8
SMILES	[Na+].C(CCCCC(=O)N[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)CCCCCCCC(=O)[O-]
Title of publication	Lipid Nanotubes and Microtubes: Experimental Evidence for Unsymmetrical Monolayer Membrane Formation from Unsymmetrical Bolaamphiphiles
Authors of publication	Masuda, Mitsutoshi; Shimizu, Toshimi
Journal of publication	Langmuir
Year of publication	2004
Journal volume	20
Journal issue	14
Pages of publication	5969
a	8.6816 ± 0.0009 Å
b	4.8578 ± 0.0005 Å
c	26.25 ± 0.003 Å
α	90°
β	91.46 ± 0.002°
γ	90°
Cell volume	1106.7 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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.	1506847.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506847.cif
51487	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506847 via cif-deposit CGI script.	1506847.cif