Crystallography Open Database

Information card for entry 4105342

Preview

Structure parameters

Formula	C18 H18 O5
Calculated formula	C18 H18 O5
Title of publication	Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative
Authors of publication	Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	16045 - 16047
a	10.1169 ± 0.0002 Å
b	14.662 ± 0.0003 Å
c	21.1692 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3140.11 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4105342.cif
178799	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53.	4105342.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105342.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105342.cif
30537	2011-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4105342 via cif-deposit CGI script.	4105342.cif