Crystallography Open Database

Information card for entry 4515147

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Coordinates	4515147.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2a
Formula	C14 H24 F N O4
Calculated formula	C14 H24 F N O4
Title of publication	Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.
Authors of publication	Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	6
Pages of publication	10854 - 10865
a	16.1257 ± 0.0006 Å
b	5.0821 ± 0.0002 Å
c	19.3075 ± 0.0006 Å
α	90°
β	97.582 ± 0.002°
γ	90°
Cell volume	1568.46 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1062
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
220257 (current)	2019-10-28	cif/ Adding structures of 4515147, 4515148, 4515149 via cif-deposit CGI script.	4515147.cif