Crystallography Open Database

Information card for entry 4110550

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Coordinates	4110550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 O2 S
Calculated formula	C25 H33.178 O2 S
Title of publication	New Multicomponent Approach for the Creation of Chiral Quaternary Centers in the Carbonyl Allylation Reactions
Authors of publication	Genia Sklute; Ilan Marek
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	4642 - 4649
a	13.232 ± 0.0004 Å
b	9.003 ± 0.0003 Å
c	19.634 ± 0.0007 Å
α	90°
β	95.81 ± 0.0012°
γ	90°
Cell volume	2326.94 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1218
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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