Crystallography Open Database

Information card for entry 1503418

Preview

Coordinates	1503418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H40 O3 Si
Calculated formula	C21 H40 O3 Si
SMILES	[Si](O[C@H]([C@H]1C(=O)[C@@H](CC[C@@H]1C(C)C)C)/C(=C/CO)C)(C)(C)C(C)(C)C
Title of publication	Enantiospecific synthesis of the cubitane skeleton.
Authors of publication	Schöttner, Elisabeth; Wiechoczek, Maren; Jones, Peter G.; Lindel, Thomas
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	784 - 787
a	10.2696 ± 0.0003 Å
b	12.6091 ± 0.0003 Å
c	17.8108 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2306.33 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0258
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54184 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.	1503418.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503418.cif
37289	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503418 via cif-deposit CGI script.	1503418.cif