Crystallography Open Database

Information card for entry 4026276

Preview

Coordinates	4026276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H35 N O5
Calculated formula	C21 H35 N O5
SMILES	C1CC[C@]2([C@H]3C[C@@H]4C[C@H](C[C@@]([C@]24CCCN1C(=O)OC(C)(C)C)(O3)O)C)O
Title of publication	Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine
Authors of publication	Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	3684 - 3690
a	7.817 ± 0.006 Å
b	8.455 ± 0.007 Å
c	33.54 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	2217 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
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	0.2221
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.2026
Weighted residual factors for all reflections included in the refinement	0.279
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
178441 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/62.	4026276.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026276.cif
38628	2012-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4026276 via cif-deposit CGI script.	4026276.cif