Crystallography Open Database

Information card for entry 1502601

Preview

Coordinates	1502601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H44 O6 Si
Calculated formula	C29 H44 O6 Si
SMILES	[Si](O[C@H]1[C@H](OCc2ccccc2)[C@H]2OC(O[C@]2([C@@]2(O)C(=O)C=CC[C@@H]12)CCC)(C)C)(C)(C)C(C)(C)C
Title of publication	Gram-scale synthesis of the A'B'-subunit of angelmicin B.
Authors of publication	Milgram, Benjamin C.; Liau, Brian B.; Shair, Matthew D.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	24
Pages of publication	6436 - 6439
a	11.575 ± 0.0004 Å
b	8.1302 ± 0.0003 Å
c	16.0924 ± 0.0005 Å
α	90°
β	107.288 ± 0.002°
γ	90°
Cell volume	1445.99 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0449
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1502601.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502601.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502601.cif
35886	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502601 via cif-deposit CGI script.	1502601.cif