Crystallography Open Database

Information card for entry 1502610

Preview

Coordinates	1502610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 O5 Si2
Calculated formula	C28 H38 O5 Si2
SMILES	C[Si](C)(C)C#C[C@]12[C@]3(C=COC3=O)[C@@H]([C@H]([C@H](C=C1)OCc1ccccc1)O2)O[Si](C)(C)C(C)(C)C
Title of publication	Total synthesis of polygalolide A.
Authors of publication	Adachi, Masaatsu; Yamada, Hitomi; Isobe, Minoru; Nishikawa, Toshio
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	24
Pages of publication	6532 - 6535
a	13.4488 ± 0.0009 Å
b	12.1633 ± 0.0008 Å
c	18.4592 ± 0.0013 Å
α	90°
β	108.832 ± 0.002°
γ	90°
Cell volume	2857.9 ± 0.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 all reflections	0.0904
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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.	1502610.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502610.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502610.cif
35895	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502610 via cif-deposit CGI script.	1502610.cif