Crystallography Open Database

Information card for entry 4119233

4119232 << 4119233 >> 4119234

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Structure parameters

Formula	C21 H29 Cl N2 O4 Si
Calculated formula	C21 H29 Cl N2 O4 Si
SMILES	C1(=C(CC(N2CCC(=O)N12)c1ccc(cc1)Cl)O[Si](C)(C)C(C)(C)C)C(=O)OC
Title of publication	Highly Selective Catalyst-Dependent Competitive 1,2-C\ρightarrowC, -O\ρightarrowC, and -N\ρightarrowC Migrations from β-Methylene-β-silyloxy-β-amido-α-diazoacetates
Authors of publication	Xichen Xu; Yu Qian; Peter Y. Zavalij; Michael P. Doyle
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	1244 - 1247
a	9.3094 ± 0.0008 Å
b	10.4293 ± 0.0009 Å
c	13.7248 ± 0.0012 Å
α	68.6267 ± 0.0013°
β	82.0779 ± 0.0014°
γ	64.8939 ± 0.0013°
Cell volume	1123.44 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0714
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	Yes

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