Crystallography Open Database

Information card for entry 4135591

Preview

Coordinates	4135591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H33 O8 Si
Calculated formula	C23 H33 O8 Si
SMILES	[Si](C#C[C@]12O[C@@]([C@H](C[C@H]3O[C@@H]([C@H]4[C@@]13COC4=O)C)[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	9.1922 ± 0.0001 Å
b	11.2207 ± 0.0001 Å
c	11.7369 ± 0.0001 Å
α	90°
β	100.28 ± 0.001°
γ	90°
Cell volume	1191.15 ± 0.02 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
261465 (current)	2021-02-04	cif/ Adding structures of 4135591 via cif-deposit CGI script.	4135591.cif