Crystallography Open Database

Information card for entry 1551313

Preview

Coordinates	1551313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H27 N O6
Calculated formula	C13 H27 N O6
SMILES	OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NCCCCCCC
Title of publication	Wet spinning and radial self-assembly of a carbohydrate low molecular weight gelator into well organized hydrogel filaments.
Authors of publication	Chalard, Anaïs; Joseph, Pierre; Souleille, Sandrine; Lonetti, Barbara; Saffon-Merceron, Nathalie; Loubinoux, Isabelle; Vaysse, Laurence; Malaquin, Laurent; Fitremann, Juliette
Journal of publication	Nanoscale
Year of publication	2019
Journal volume	11
Journal issue	32
Pages of publication	15043 - 15056
a	4.957 ± 0.003 Å
b	5.007 ± 0.004 Å
c	30.6 ± 0.02 Å
α	90°
β	92.98 ± 0.008°
γ	90°
Cell volume	758.5 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.1119
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
224661 (current)	2019-11-08	cif/ Updating files of 1551313 Original log message: Adding full bibliography for 1551313.cif.	1551313.cif
215804	2019-06-11	cif/ Adding structures of 1551313 via cif-deposit CGI script.	1551313.cif