Crystallography Open Database

Information card for entry 7158130

Preview

Coordinates	7158130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Cl2 N O
Calculated formula	C17 H17 Cl2 N O
SMILES	ClC1(Cl)[C@H](c2ccccc2)CCN(c2ccccc2)[C@H]1O.ClC1(Cl)[C@@H](c2ccccc2)CCN(c2ccccc2)[C@@H]1O
Title of publication	Visible-light-induced C(sp<sup>3</sup>)-H functionalizations of piperidines to 3,3-dichloro-2-hydroxy-piperidines with N-chlorosuccinimide.
Authors of publication	Wang, Fang; Liu, Xiaoli; Wang, Lei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	27
Pages of publication	6141 - 6146
a	17.8125 ± 0.0012 Å
b	17.8125 ± 0.0012 Å
c	8.4655 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	2326.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268920 (current)	2021-09-06	cif/ Updating files of 7158130 Original log message: Adding full bibliography for 7158130.cif.	7158130.cif
266579	2021-06-19	cif/ Adding structures of 7158130 via cif-deposit CGI script.	7158130.cif