Crystallography Open Database

Information card for entry 4110115

Preview

Coordinates	4110115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 Cl N O4 Si
Calculated formula	C25 H28 Cl N O4 Si
SMILES	Clc1ccc(cc1)[C@@H](N(c1ccccc1OC)O[Si](C)(C)C)C(=O)c1ccc(cc1)OC
Title of publication	Enantioselective Metallophosphite-Catalyzed C-Acylation of Nitrones
Authors of publication	Mary R. Garrett; James C. Tarr; Jeffrey S. Johnson
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	12944 - 12945
a	22.6163 ± 0.0005 Å
b	9.1104 ± 0.0002 Å
c	15.1209 ± 0.0003 Å
α	90°
β	126.134 ± 0.001°
γ	90°
Cell volume	2516.25 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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