Crystallography Open Database

Information card for entry 4135590

Preview

Coordinates	4135590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H33 O10 Si
Calculated formula	C23 H33 O10 Si
SMILES	[Si](C#C[C@]12O[C@@]([C@H](C[C@@H](OC(=O)C)[C@@]31COC(=O)C3=O)[C@H]2OCOC)(C)COCOC)(C)(C)C
Title of publication	Enantioselective Synthesis of Euonyminol.
Authors of publication	Tomanik, Martin; Xu, Zhi; Herzon, Seth B.
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
Journal volume	143
Journal issue	2
Pages of publication	699 - 704
a	10.13664 ± 0.00018 Å
b	12.97562 ± 0.00019 Å
c	19.3014 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2538.7 ± 0.07 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0285
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261464 (current)	2021-02-04	cif/ Adding structures of 4135590 via cif-deposit CGI script.	4135590.cif