Crystallography Open Database

Information card for entry 4518668

Preview

Coordinates	4518668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16.5 Br N O1.25
Calculated formula	C24 H16.5 Br N O1.25
Title of publication	Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles
Authors of publication	Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei
Journal of publication	ACS Catalysis
Year of publication	2021
Pages of publication	4929 - 4935
a	9.7726 ± 0.0009 Å
b	12.1642 ± 0.0011 Å
c	16.4042 ± 0.0015 Å
α	94.461 ± 0.003°
β	102.259 ± 0.004°
γ	105.75 ± 0.003°
Cell volume	1814.9 ± 0.3 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.2335
Weighted residual factors for all reflections included in the refinement	0.241
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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