Crystallography Open Database

Information card for entry 1563822

Preview

Coordinates	1563822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 Cl3 N O3 Si
Calculated formula	C29 H26 Cl3 N O3 Si
SMILES	[Si]12(Oc3c(c4ccccc4cc3)C=[N]2[C@H](C(=O)O1)C(C)C)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
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	9.7871 ± 0.0002 Å
b	10.8431 ± 0.0002 Å
c	25.8544 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2743.73 ± 0.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
266848 (current)	2021-07-01	cif/ Adding structures of 1563822 via cif-deposit CGI script.	1563822.cif