Crystallography Open Database

Information card for entry 1563828

Preview

Coordinates	1563828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N2 O6 Si
Calculated formula	C32 H30 N2 O6 Si
SMILES	[Si]1234(Oc5c(c6ccccc6cc5)C=[N]2[C@H](C(=O)O1)C(C)C)Oc1c(c2ccccc2cc1)C=[N]4[C@H](C(=O)O3)C(C)C.[Si]1234(Oc5c(c6ccccc6cc5)C=[N]2[C@@H](C(=O)O1)C(C)C)Oc1c(c2ccccc2cc1)C=[N]4[C@@H](C(=O)O3)C(C)C
Title of publication	(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes
Authors of publication	Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	483
Pages of publication	136 - 147
a	30.0121 ± 0.0013 Å
b	30.0121 ± 0.0013 Å
c	16.4324 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	14801.1 ± 1.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1543
Residual factor for significantly intense reflections	0.1056
Weighted residual factors for significantly intense reflections	0.308
Weighted residual factors for all reflections included in the refinement	0.3406
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
266854 (current)	2021-07-01	cif/ Adding structures of 1563828 via cif-deposit CGI script.	1563828.cif