Crystallography Open Database

Information card for entry 4060010

Preview

Coordinates	4060010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Br Cl3 N O5
Calculated formula	C21 H19 Br Cl3 N O5
Title of publication	Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea
Authors of publication	Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	119 - 125
a	8.509 ± 0.005 Å
b	11.225 ± 0.008 Å
c	23.33 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2228 ± 2 Å³
Cell temperature	93.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.027
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4060010.html