Crystallography Open Database

Information card for entry 4518328

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Coordinates	4518328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 B0 N2 O4 S
Calculated formula	C26 H32 B N O4 S
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	9.2929 ± 0.0004 Å
b	11.4055 ± 0.0005 Å
c	12.1564 ± 0.0005 Å
α	104.13 ± 0.001°
β	93.917 ± 0.001°
γ	90.897 ± 0.001°
Cell volume	1245.86 ± 0.09 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	0.0361
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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