Crystallography Open Database

Information card for entry 4103915

Preview

Coordinates	4103915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H37 I O4
Calculated formula	C24 H37 I O4
SMILES	IC[C@@H]1[C@H](C[C@]23OC(=O)[C@]4(C(=O)[C@H]([C@H](O[C@@H]34)[C@@H](C[C@@H](CCC[C@H]2C1)C)C)C)C)C
Title of publication	Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis
Authors of publication	Amos B. Smith III; Todd Bosanac; Kallol Basu
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	2348 - 2358
a	10.8093 ± 0.0009 Å
b	11.143 ± 0.001 Å
c	20.0215 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2411.6 ± 0.4 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 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	0.0359
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178785 (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 4/10/39.	4103915.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103915.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103915.cif
28392	2011-10-26	../uploads/cif-deposit/cod/cif Adding structures of 4103915 via cif-deposit CGI script.	4103915.cif