Crystallography Open Database

Information card for entry 1534350

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Structure parameters

Common name	bissilyloxy aldehyde
Chemical name	(2R,3R)-2,3-bis(tris(trimethylsilyl)siloxy)-hexanal
Formula	C24 H64 O3 Si8
Calculated formula	C24 H64 O3 Si8
SMILES	[Si]([Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)O[C@@H]([C@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C=O)CCC.[Si]([Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)O[C@H]([C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C=O)CCC
Title of publication	A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols
Authors of publication	Gati, Wafa; Yamamoto, Hisashi
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	1
Pages of publication	394
a	16.614 ± 0.019 Å
b	18.221 ± 0.019 Å
c	14.051 ± 0.016 Å
α	90°
β	105.69 ± 0.02°
γ	90°
Cell volume	4095 ± 8 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.2228
Weighted residual factors for all reflections included in the refinement	0.531
Goodness-of-fit parameter for all reflections included in the refinement	1.285
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301778 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure.	1534350.cif
175923	2016-02-05	cif/ Updating files of 1534349, 1534350 Original log message: Adding full bibliography for 1534349--1534350.cif.	1534350.cif
160972	2015-10-08	cif/ Adding structures of 1534349, 1534350 via cif-deposit CGI script.	1534350.cif