Crystallography Open Database

Information card for entry 4518679

Preview

Coordinates	4518679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 Cl N
Calculated formula	C22 H24 Cl N
Title of publication	Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst
Authors of publication	Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	8
Pages of publication	4862 - 4869
a	6.4598 ± 0.0002 Å
b	13.9948 ± 0.0003 Å
c	21.6147 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1954.05 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0352
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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