Crystallography Open Database

Information card for entry 1556060

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Structure parameters

Formula	C20 H34 O10 Si
Calculated formula	C20 H34 O10 Si
SMILES	[Si](O[C@]1(C(=O)OC)CC[C@]2(O[C@@H]([C@@]1(O2)C(=O)OC)C(=O)OC)CCO)(C)(C)C(C)(C)C
Title of publication	Synthesis of (-)-6,7-Dideoxysqualestatin H5 by Carbonyl Ylide Cycloaddition-Rearrangement and Cross-electrophile Coupling.
Authors of publication	Fegheh-Hassanpour, Younes; Arif, Tanzeel; Sintim, Herman O.; Al Mamari, Hamad H.; Hodgson, David M.
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	13
Pages of publication	3540 - 3543
a	9.5791 ± 0.0001 Å
b	8.5119 ± 0.0001 Å
c	15.0831 ± 0.0002 Å
α	90°
β	100.912 ± 0.0015°
γ	90°
Cell volume	1207.58 ± 0.03 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0249
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for all reflections	0.0661
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1556060.cif
239380	2019-11-24	cif/ Adding structures of 1556060 via cif-deposit CGI script.	1556060.cif