Crystallography Open Database

Information card for entry 1555421

Preview

Coordinates	1555421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 N O5 S
Calculated formula	C24 H31 N O5 S
SMILES	S(=O)(=O)(N1C[C@@](O)([C@@H]([C@H](C1)c1ccccc1)C(=O)OC(C)(C)C)C)c1ccc(cc1)C
Title of publication	Access to Polyfunctionalized Chiral Piperidines through Enantioselective Addition-Carbocyclization Cascade Reaction Catalyzed by a Rhodium(I)-Diene Complex.
Authors of publication	Serpier, Fabien; Brayer, Jean-Louis; Folléas, Benoît; Darses, Sylvain
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	21
Pages of publication	5496 - 5499
a	5.8376 ± 0.0002 Å
b	10.6992 ± 0.0004 Å
c	37.5454 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2345 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0712
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238648 (current)	2019-11-24	cif/ Adding structures of 1555421 via cif-deposit CGI script.	1555421.cif