Crystallography Open Database

Information card for entry 4135593

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Structure parameters

Formula	C30 H50 O11 Si
Calculated formula	C30 H50 O11 Si
SMILES	[Si]1(O[C@H]2[C@H]3OC(=O)[C@@]42[C@@]2(O[C@@]([C@@H]([C@H]2OCOC)C[C@H]4O1)(C)COCOC)[C@]1(OC(O[C@@H]31)(C)C)C)(C(C)(C)C)C(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	11.95 ± 0.0001 Å
b	16.7458 ± 0.0001 Å
c	31.7086 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6345.28 ± 0.08 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	0.0355
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4135593.cif
261467	2021-02-04	cif/ Adding structures of 4135593 via cif-deposit CGI script.	4135593.cif