Crystallography Open Database

Information card for entry 1503828

Preview

Coordinates	1503828.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	04320
Formula	C25 H44 O4 Si
Calculated formula	C25 H44 O4 Si
SMILES	[Si](O[C@@H]1[C@@H](O)[C@H]2C(=O)[C@@]3([C@@H](C[C@H]2O[C@]1(CCC=C(CC3)C)C)C)C)(CC)(CC)CC.[Si](O[C@H]1[C@H](O)[C@@H]2C(=O)[C@]3([C@H](C[C@@H]2O[C@@]1(CCC=C(CC3)C)C)C)C)(CC)(CC)CC
Title of publication	Total synthesis of phomactin A.
Authors of publication	Tang, Yu; Cole, Kevin P.; Buchanan, Grant S.; Li, Gang; Hsung, Richard P.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	7
Pages of publication	1591 - 1594
a	9.4004 ± 0.0007 Å
b	10.2614 ± 0.0008 Å
c	13.271 ± 0.001 Å
α	101.813 ± 0.001°
β	93.644 ± 0.001°
γ	94.256 ± 0.001°
Cell volume	1245.5 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	1503828.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503828.cif
39117	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503828 via cif-deposit CGI script.	1503828.cif