Crystallography Open Database

Information card for entry 7154021

Preview

Coordinates	7154021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 F N O
Calculated formula	C11 H12 F N O
SMILES	C1(=O)[C@H](CC[C@@H](c2ccccc2)N1)F.C1(=O)[C@@H](CC[C@H](c2ccccc2)N1)F
Title of publication	Short and efficient synthesis of fluorinated δ-lactams.
Authors of publication	Cogswell, Thomas J.; Donald, Craig S.; Long, De-Liang; Marquez, Rodolfo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	3
Pages of publication	717 - 728
a	6.0469 ± 0.0002 Å
b	9.1864 ± 0.0003 Å
c	9.4011 ± 0.0003 Å
α	110.41 ± 0.002°
β	96.98 ± 0.002°
γ	92.353 ± 0.002°
Cell volume	483.85 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
180326 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/40.	7154021.cif
133515	2015-03-06	cif/ Updating files of 7154021 Original log message: Adding full bibliography for 7154021.cif.	7154021.cif
122614	2014-08-30	cif/ Adding structures of 7154021 via cif-deposit CGI script.	7154021.cif