Crystallography Open Database

Information card for entry 4121518

Preview

Coordinates	4121518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H38 O5 Si
Calculated formula	C23 H38 O5 Si
SMILES	[Si](OC1=C2[C@H]3[C@H](C(=O)O[C@H]3CCC2)[C@@H](C(=O)OCC)C1)(C(C)C)(C(C)C)C(C)C
Title of publication	Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.
Authors of publication	Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	12
Pages of publication	4492 - 4495
a	8.6924 ± 0.0006 Å
b	8.9976 ± 0.0006 Å
c	29.0972 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2275.7 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0322
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179017 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/15.	4121518.cif
108215	2014-03-29	cif/ Adding structures of 4121518 via cif-deposit CGI script.	4121518.cif