Crystallography Open Database

Information card for entry 7116387

Preview

Coordinates	7116387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40 N6 O4
Calculated formula	C44 H40 N6 O4
Title of publication	Lanthanide supramolecular helical diastereoselective breaking induced by point chirality: mixture or P-helix, M-helix
Authors of publication	Chi-Tung Yeung; Wesley Ting Kwok Chan; Siu-Cheong Yan; Kwan-Leung Yu; King-Him Yim; Wing-Tak Wong; Ga-Lai Law
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	592
a	10.3285 ± 0.0006 Å
b	17.8133 ± 0.0012 Å
c	10.5822 ± 0.0007 Å
α	90°
β	100.506 ± 0.004°
γ	90°
Cell volume	1914.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1163
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180277 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/63.	7116387.cif
129623	2015-01-14	cif/ Adding structures of 7116385, 7116386, 7116387 via cif-deposit CGI script.	7116387.cif