Crystallography Open Database

Information card for entry 7156733

Preview

Coordinates	7156733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 F N2 O6
Calculated formula	C15 H19 F N2 O6
Title of publication	Highly efficient regio-selective ring-opening nucleophilic fluorination of aziridines and azetidines: access to β- or γ-fluorinated amino acid derivatives.
Authors of publication	Zhu, Liping; Xiong, Jiale; An, Junkai; Chen, Nannan; Xue, Jijun; Jiang, Xianxing
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	15
Pages of publication	3797 - 3804
a	5.103 ± 0.0001 Å
b	24.0246 ± 0.0003 Å
c	13.7034 ± 0.0002 Å
α	90°
β	98.635 ± 0.001°
γ	90°
Cell volume	1660.96 ± 0.05 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 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	0.0375
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225242 (current)	2019-11-08	cif/ Updating files of 7156733 Original log message: Adding full bibliography for 7156733.cif.	7156733.cif
214139	2019-03-16	cif/ Adding structures of 7156733 via cif-deposit CGI script.	7156733.cif