Crystallography Open Database

Information card for entry 4033456

Preview

Structure parameters

Formula	C16 H16 F3 N O4
Calculated formula	C16 H16 F3 N O4
SMILES	[C@@]12(N[C@](CCC31OCCCO3)(OC2=O)C(F)(F)F)c1ccccc1.[C@]12(N[C@@](CCC31OCCCO3)(OC2=O)C(F)(F)F)c1ccccc1
Title of publication	Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.
Authors of publication	Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	4
Pages of publication	1867 - 1875
a	35.6381 ± 0.0016 Å
b	6.3353 ± 0.0002 Å
c	14.7029 ± 0.0007 Å
α	90°
β	111.535 ± 0.003°
γ	90°
Cell volume	3087.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4033456.html