Crystallography Open Database

Information card for entry 1504790

Preview

Coordinates	1504790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H52 N3 O2 Zn
Calculated formula	C49 H52 N3 O2 Zn
Title of publication	Colorimetric discrimination between important alkaloid nuclei mediated by a bis-salphen chromophore.
Authors of publication	Wezenberg, Sander J.; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	15
Pages of publication	3311 - 3314
a	23.0378 ± 0.0011 Å
b	10.0623 ± 0.0006 Å
c	19.4193 ± 0.001 Å
α	90°
β	110.731 ± 0.003°
γ	90°
Cell volume	4210.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
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.	1504790.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504790.cif
42365	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504788, 1504789, 1504790 via cif-deposit CGI script.	1504790.cif