Crystallography Open Database

Information card for entry 1515137

Preview

Coordinates	1515137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H57 O4 Si2
Calculated formula	C29 H57 O4 Si2
SMILES	[Si](O[C@@H]1[C@H](C(=O)O[C@@H]([C@@H](C(=C)[C@H](O[Si](CC)(CC)CC)[C@@H](C[C@@H]1C)C)C)CC)C)(C)(C)C(C)(C)C
Title of publication	Nickel-Catalyzed Regiodivergent Approach to Macrolide Motifs.
Authors of publication	Shareef, Abdur-Rafay; Sherman, David H.; Montgomery, John
Journal of publication	Chemical science (Royal Society of Chemistry : 2010)
Year of publication	2012
Journal volume	3
Journal issue	3
Pages of publication	892 - 895
a	12.0562 ± 0.0002 Å
b	13.9646 ± 0.0003 Å
c	18.9224 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3185.8 ± 0.2 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 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	0.0581
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1515137.cif
110876	2014-04-20	cif/ Adding structures of 1515137 via cif-deposit CGI script.	1515137.cif