Crystallography Open Database

Information card for entry 7156284

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Structure parameters

Formula	C25 H38 N2 O3 S
Calculated formula	C25 H38 N2 O3 S
Title of publication	General and stereoselective aminoxylation of biradical titanium(iv) enolates with TEMPO: a detailed study on the effect of the chiral auxiliary.
Authors of publication	Kennington, Stuart C. D.; Gómez-Palomino, Alejandro; Salomó, Ernest; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	26
Pages of publication	4807 - 4815
a	25.58 ± 0.02 Å
b	7.18 ± 0.005 Å
c	16.94 ± 0.015 Å
α	90°
β	125.27 ± 0.03°
γ	90°
Cell volume	2540 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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