Crystallography Open Database

Information card for entry 1504624

Preview

Coordinates	1504624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 O5 Si2
Calculated formula	C26 H42 O5 Si2
SMILES	[Si](c1ccccc1)([C@H]1[C@H]2CC(=O)[C@H](O[C@H](C2)COCOC)C(=C1)O[Si](C)(C(C)(C)C)C)(C)C.[Si](c1ccccc1)([C@@H]1[C@@H]2CC(=O)[C@@H](O[C@@H](C2)COCOC)C(=C1)O[Si](C)(C(C)(C)C)C)(C)C
Title of publication	Diastereoselective Brook rearrangement-mediated [3+4] annulation: application to a formal synthesis of (+)-laurallene.
Authors of publication	Sasaki, Michiko; Hashimoto, Azusa; Tanaka, Koudai; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	9
Pages of publication	1803 - 1805
a	14.0993 ± 0.0017 Å
b	16.56 ± 0.002 Å
c	12.0918 ± 0.0015 Å
α	90°
β	104.882 ± 0.002°
γ	90°
Cell volume	2728.5 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
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.	1504624.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504624.cif
42231	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504624 via cif-deposit CGI script.	1504624.cif