Crystallography Open Database

Information card for entry 1515345

Preview

Coordinates	1515345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H226 N10 O16
Calculated formula	C142 H226 N10 O16
Title of publication	A steroid-based gelator of A(LS)2 type: tuning gel properties by metal coordination
Authors of publication	Svobodová, Hana; Nonappa,; Lahtinen, Manu; Wimmer, Zdeněk; Kolehmainen, Erkki
Journal of publication	Soft Matter
Year of publication	2012
Journal volume	8
Journal issue	30
Pages of publication	7840
a	6.1385 ± 0.0002 Å
b	14.6387 ± 0.0005 Å
c	37.9634 ± 0.0009 Å
α	83.436 ± 0.002°
β	86 ± 0.003°
γ	80.353 ± 0.003°
Cell volume	3336.63 ± 0.18 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1819
Weighted residual factors for all reflections included in the refinement	0.2056
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1515345.cif
111144	2014-04-20	cif/ Adding structures of 1515345 via cif-deposit CGI script.	1515345.cif