Crystallography Open Database

Information card for entry 4025506

Preview

Coordinates	4025506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N O5 S
Calculated formula	C24 H27 N O5 S
SMILES	Cc1ccc(S(=O)(=O)NCC(c2ccccc2)c2c(cc(OC)cc2OC)OC)cc1
Title of publication	Silver(I)-Diene Complexes as Versatile Catalysts for the C-Arylation of N-Tosylaziridines: Mechanistic Insight from In Situ Diagnostics
Authors of publication	Milan Bera; Sujit Roy
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	4402 - 4412
a	10.924 Å
b	10.007 Å
c	20.702 Å
α	90°
β	102.35°
γ	90°
Cell volume	2210.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1737
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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