Crystallography Open Database

Information card for entry 7156731

Preview

Coordinates	7156731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N3 O2
Calculated formula	C20 H15 N3 O2
Title of publication	Cobalt-catalyzed C2α-acyloxylation of 2-substituted indoles with tert-butyl peresters.
Authors of publication	Zhou, Yuxiang; Li, Chenglong; Yuan, Xiaoyan; Zhang, Feiyan; Liu, Xiaozu; Liu, Peijun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	13
Pages of publication	3343 - 3347
a	8.8758 ± 0.0008 Å
b	14.7297 ± 0.0012 Å
c	11.9629 ± 0.0011 Å
α	90°
β	101.831 ± 0.009°
γ	90°
Cell volume	1530.8 ± 0.2 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
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	0.062
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
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
225196 (current)	2019-11-08	cif/ Updating files of 7156730, 7156731 Original log message: Adding full bibliography for 7156730--7156731.cif.	7156731.cif
214118	2019-03-14	cif/ Adding structures of 7156730, 7156731 via cif-deposit CGI script.	7156731.cif