Crystallography Open Database

Information card for entry 4026851

Preview

Coordinates	4026851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H48 O6 Si
Calculated formula	C37 H48 O6 Si
SMILES	[Si](O[C@@H]1C[C@H]2O[C@H](C1)C[C@@H](OC(=O)c1c(OCc3ccccc3)cccc1C2)CCOCc1ccccc1)(C)(C)C(C)(C)C
Title of publication	Total Synthesis and Biological Evaluation of (-)-Apicularen A and Its Analogues
Authors of publication	Sanjay S. Palimkar; Jun'ichi Uenishi; Hiromi Ii
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	388 - 399
a	7.7761 ± 0.0001 Å
b	11.0405 ± 0.0002 Å
c	39.4167 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3384 ± 0.1 Å³
Cell temperature	93.1 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 significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4026851.cif
80905	2013-04-11	cif/ Adding structures of 4026851 via cif-deposit CGI script.	4026851.cif