Crystallography Open Database

Information card for entry 7243784

Preview

Coordinates	7243784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N2
Calculated formula	C22 H18 N2
Title of publication	An iron(iii)-catalyzed dehydrogenative cross-coupling reaction of indoles with benzylamines to prepare 3-aminoindole derivatives
Authors of publication	Chen, Wei-Li; Li, Kun; Liao, Wei-Cong; Liang, Wang-Fu; Qiu, Pei-Wen; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	23
Pages of publication	9610 - 9616
a	9.87 ± 0.04 Å
b	20.34 ± 0.08 Å
c	8.95 ± 0.04 Å
α	90 ± 0.07°
β	108.57 ± 0.07°
γ	90 ± 0.08°
Cell volume	1703 ± 12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1015
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.187
Weighted residual factors for all reflections included in the refinement	0.2176
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271852 (current)	2022-01-06	cif/ Updating files of 7243784, 7243785 Original log message: Adding full bibliography for 7243784--7243785.cif.	7243784.cif
270130	2021-10-29	cif/ Adding structures of 7243784, 7243785 via cif-deposit CGI script.	7243784.cif