Crystallography Open Database

Information card for entry 4515148

Preview

Coordinates	4515148.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	24
Formula	C15 H24 F3 N O4
Calculated formula	C15 H24 F3 N O4
SMILES	FC1(CCC(F)(F)CC1)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC
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	5.2019 ± 0.0001 Å
b	11.2334 ± 0.0003 Å
c	28.6154 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1672.14 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0271
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4515148.cif