Crystallography Open Database

Information card for entry 1542993

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Structure parameters

Formula	C28 H40 O4 Si
Calculated formula	C28 H40 O4 Si
SMILES	[Si](O[C@H](CCCC)[C@H](CC(=O)C)C(=O)OCC)(c1ccccc1)(c1ccccc1)C(C)(C)C.[Si](O[C@@H](CCCC)[C@H](C(=O)OCC)CC(=O)C)(c1ccccc1)(c1ccccc1)C(C)(C)C
Title of publication	Stereocontrolled (Me3Si)3SiH-Mediated Radical and Ionic Hydride Transfer in Synthesis of 2,3,5-Trisubstituted THF.
Authors of publication	Grélaud, Simon; Desvergnes, Valérie; Landais, Yannick
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	7
Pages of publication	1542 - 1545
a	9.8904 ± 0.0002 Å
b	32.7758 ± 0.0006 Å
c	18.3035 ± 0.0013 Å
α	90°
β	95.879 ± 0.007°
γ	90°
Cell volume	5902.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0774
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1678
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1542993.cif
217633	2019-08-21	cif/1: Fixing Z values and formulae	1542993.cif
181383	2016-04-04	cif/ Adding structures of 1542993 via cif-deposit CGI script.	1542993.cif