Crystallography Open Database

Information card for entry 4033458

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Structure parameters

Formula	C16 H16 F3 N O4
Calculated formula	C16 H16 F3 N O4
SMILES	N12[C@H](C(=O)O[C@@]1([C@H](CC12OCCO1)C)C(F)(F)F)c1ccccc1.N12[C@@H](C(=O)O[C@]1([C@@H](CC12OCCO1)C)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	8.362 ± 0.0002 Å
b	33.0398 ± 0.0007 Å
c	11.7333 ± 0.0003 Å
α	90°
β	108.816 ± 0.0007°
γ	90°
Cell volume	3068.42 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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