Crystallography Open Database

Information card for entry 8106056

Preview

Coordinates	8106056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 O5 Si
Calculated formula	C21 H30 O5 Si
SMILES	C1(=O)C[C@H]2[C@H](C[C@H]([C@@H]2CO[Si](C(C)(C)C)(C)C)OC(=O)c2ccccc2)O1
Title of publication	A derivative of the Corey lactone – crystal structure of (3aR,4S,5R,6aS)-4-(((tert-butyldimethylsilyl)oxy)methyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate, C21H30O5Si
Authors of publication	Wang, Kun-Yan; Wei, Pengfei; Yang, Xiao-Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	1
Pages of publication	91 - 92
a	8.5017 ± 0.0006 Å
b	11.437 ± 0.0007 Å
c	22.2285 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2161.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0802
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279196 (current)	2022-11-10	cif/ Adding structures of 8106056 via cif-deposit CGI script.	8106056.cif