Crystallography Open Database

Information card for entry 1518943

Preview

Coordinates	1518943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 O5 Si
Calculated formula	C18 H30 O5 Si
SMILES	[Si](OC[C@]12[C@@H]3O[C@H]4O[C@@H](C3)C[C@@]1(O4)CC(=O)CC2)(C)(C)C(C)(C)C
Title of publication	A convergent total synthesis of ouabagenin
Authors of publication	Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	6
Pages of publication	3383
a	11.0079 ± 0.0002 Å
b	6.36439 ± 0.00012 Å
c	13.7975 ± 0.001 Å
α	90°
β	110.712 ± 0.008°
γ	90°
Cell volume	904.16 ± 0.08 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518943.cif
138480	2015-06-07	cif/ Updating files of 1518942, 1518943 Original log message: Adding full bibliography for 1518942--1518943.cif.	1518943.cif
134558	2015-04-01	cif/ Adding structures of 1518942, 1518943 via cif-deposit CGI script.	1518943.cif