Crystallography Open Database

Information card for entry 1563823

Preview

Coordinates	1563823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 N2 O7 Sn
Calculated formula	C33 H34 N2 O7 Sn
SMILES	[Sn]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.CO.[Sn]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.CO
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	10.4688 ± 0.0005 Å
b	12.2437 ± 0.0006 Å
c	13.4006 ± 0.0007 Å
α	100.391 ± 0.004°
β	102.456 ± 0.004°
γ	111.831 ± 0.004°
Cell volume	1491.22 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.1821
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.22
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
266849 (current)	2021-07-01	cif/ Adding structures of 1563823 via cif-deposit CGI script.	1563823.cif