Crystallography Open Database

Information card for entry 4108419

Preview

Coordinates	4108419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H28 O4
Calculated formula	C19 H28 O4
SMILES	O=C1C[C@H](C[C@H]2OC(=O)[C@H](C)[C@@]3(O)[C@@H]2[C@](CCC=C1)(CC3)C)C
Title of publication	Enantioselective Total Synthesis of Clavirolide C. Applications of Cu-Catalyzed Asymmetric Conjugate Additions and Ru-Catalyzed Ring-Closing Metathesis
Authors of publication	M. Kevin Brown; Amir H. Hoveyda
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	12904 - 12906
a	8.5863 ± 0.0013 Å
b	10.8754 ± 0.0017 Å
c	9.9485 ± 0.0016 Å
α	90°
β	111.535 ± 0.002°
γ	90°
Cell volume	864.1 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1046
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
178830 (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 4/10/84.	4108419.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108419.cif
56773	2012-05-15	cif/ Adding structures of 4108419 via cif-deposit CGI script.	4108419.cif