Crystallography Open Database

Information card for entry 4102265

Preview

Coordinates	4102265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Cl4 N O5
Calculated formula	C18 H21 Cl4 N O5
Title of publication	Total Synthesis of the Lycorenine-Type Amaryllidaceae Alkaloid (\±)-Clivonine via a Biomimetic Ring-Switch from a Lycorine-Type Progenitor
Authors of publication	Carles Giró Mañas; Victoria L. Paddock; Christian G. Bochet; Alan C. Spivey; Andrew J. P. White; Inderjit Mann; Wolfgang Oppolzer
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	5176 - 5178
a	8.4338 ± 0.0002 Å
b	22.7228 ± 0.0006 Å
c	10.7268 ± 0.0003 Å
α	90°
β	97.729 ± 0.002°
γ	90°
Cell volume	2037 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
178768 (current)	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 4/10/22.	4102265.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102265.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102265.cif
25123	2011-09-09	../uploads/cif-deposit/cod/cif Adding structures of 4102265 via cif-deposit CGI script.	4102265.cif