Crystallography Open Database

Information card for entry 1504545

Preview

Coordinates	1504545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H48 O6 Si
Calculated formula	C33 H48 O6 Si
SMILES	[Si](O[C@@H]1[C@@H]2[C@@H]3O[C@]([C@H](OCc4ccccc4)[C@H]1OCc1ccccc1)([C@@]2(O)[C@H](O)CC3)CCC)(C)(C)C(C)(C)C
Title of publication	Synthesis of the AB subunit of angelmicin B through a tandem alkoxy radical fragmentation-etherification sequence.
Authors of publication	Li, Jialiang; Todaro, Louis J.; Mootoo, David R.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	7
Pages of publication	1337 - 1340
a	6.339 ± 0.0013 Å
b	13.53 ± 0.003 Å
c	36.211 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3105.7 ± 1.1 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	0.0897
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1504545.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504545.cif
42159	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504545 via cif-deposit CGI script.	1504545.cif