Crystallography Open Database

Information card for entry 7117190

Preview

Coordinates	7117190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 F4 N O4 S
Calculated formula	C17 H21 F4 N O4 S
Title of publication	Asymmetric synthesis of quaternary alpha-fluoro-beta-keto-amines via detrifluoroacetylative Mannich reactions
Authors of publication	Chen Xie; Yanling Dai; Haibo Mei; Jianlin Han; Vadim A. Soloshonok; Yi Pan
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	9149
a	7.7459 ± 0.0006 Å
b	9.8069 ± 0.0008 Å
c	25.602 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1944.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0438
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7117190.html