Crystallography Open Database

Information card for entry 4132333

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Coordinates	4132333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H19 Br O2
Calculated formula	C10 H19 Br O2
Title of publication	Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents.
Authors of publication	Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	23
Pages of publication	7052 - 7055
a	24.997 ± 0.002 Å
b	5.1956 ± 0.0005 Å
c	18.1896 ± 0.0017 Å
α	90°
β	104.221 ± 0.003°
γ	90°
Cell volume	2290 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242317 (current)	2019-11-26	cif/ Adding structures of 4132333 via cif-deposit CGI script.	4132333.cif