Crystallography Open Database

Information card for entry 4129346

Preview

Coordinates	4129346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H76 Li2 N2 O6 Si4
Calculated formula	C32 H76 Li2 N2 O6 Si4
SMILES	C(C)(C)(C)[Si@]1(N2CCC[C@H]2C[O](C)[Li]2([CH2]([Si](C)(C)C)[Li]3([CH2]2[Si](C)(C)C)[O](C)[Si@@](C(C)(C)C)(N2CCC[C@H]2C[O]3C)OC)[O]1C)OC
Title of publication	Stereocontrol in nucleophilic substitution reactions at silicon: the role of permutation in generating silicon-centered chirality.
Authors of publication	Bauer, Jonathan O.; Strohmann, Carsten
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	13
Pages of publication	4304 - 4307
a	9.3843 ± 0.0002 Å
b	9.3843 ± 0.0002 Å
c	51.04 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4494.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1
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
240081 (current)	2019-11-25	cif/ Adding structures of 4129346 via cif-deposit CGI script.	4129346.cif