Crystallography Open Database

Information card for entry 7126535

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Coordinates	7126535.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	prism
Formula	C20 H26 O4 S
Calculated formula	C20 H26 O4 S
Title of publication	Organocatalytic enantioselective allylic alkylation of α-aryl γ-lactones: an approach to densely functionalized quaternary stereocentres.
Authors of publication	Mando, Morgane; Grellepois, Fabienne; Riguet, Emmanuel
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	49
Pages of publication	6640 - 6643
a	6.4331 ± 0.0012 Å
b	15.335 ± 0.003 Å
c	19.485 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1922.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253817 (current)	2020-07-06	cif/ Updating files of 7126535 Original log message: Adding full bibliography for 7126535.cif.	7126535.cif
252062	2020-05-16	cif/ Adding structures of 7126535 via cif-deposit CGI script.	7126535.cif