Crystallography Open Database

Information card for entry 7125692

Preview

Coordinates	7125692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 N2 O5 S2
Calculated formula	C14 H24 N2 O5 S2
Title of publication	Organocatalytic enantioselective synthesis of 2,5,5-trisubstituted piperidines bearing a quaternary stereocenter. Vinyl sulfonamide as a new amine protecting group.
Authors of publication	Escolano, Marcos; Guerola, Marta; Torres, Javier; Gaviña, Daniel; Alzuet-Piña, Gloria; Sánchez-Rosello, María; Del Pozo, Carlos
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	9
Pages of publication	1425 - 1428
a	7.25874 ± 0.00008 Å
b	6.61591 ± 0.00006 Å
c	18.72215 ± 0.00018 Å
α	90°
β	91.4852 ± 0.0009°
γ	90°
Cell volume	898.795 ± 0.015 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247613 (current)	2020-02-04	cif/ Updating files of 7125692 Original log message: Adding full bibliography for 7125692.cif.	7125692.cif
245567	2019-12-25	cif/ Adding structures of 7125692 via cif-deposit CGI script.	7125692.cif