Crystallography Open Database

Information card for entry 4518327

Preview

Coordinates	4518327.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Rajender052820_1
Formula	C28 H33 B Br N O4
Calculated formula	C28 H33 B Br N O4
Title of publication	Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters
Authors of publication	Nallagonda, Rajender; Karimov, Rashad R.
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	248 - 254
a	10.0807 ± 0.0004 Å
b	11.1859 ± 0.0005 Å
c	12.2258 ± 0.0005 Å
α	74.6461 ± 0.0009°
β	84.2332 ± 0.0009°
γ	88.2173 ± 0.0009°
Cell volume	1322.66 ± 0.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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/4518327.html