Crystallography Open Database

Information card for entry 7156473

Preview

Coordinates	7156473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Br N O
Calculated formula	C18 H16 Br N O
Title of publication	New Friedel-Crafts strategy for preparing 3-acylindoles.
Authors of publication	Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	42
Pages of publication	7792 - 7796
a	8.4795 ± 0.0003 Å
b	11.3762 ± 0.0004 Å
c	16.221 ± 0.0005 Å
α	90°
β	92.399 ± 0.003°
γ	90°
Cell volume	1563.38 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230681 (current)	2019-11-17	cif/ Updating files of 7156470, 7156471, 7156472, 7156473 Original log message: Adding full bibliography for 7156470--7156473.cif.	7156473.cif
211314	2018-10-04	cif/ Adding structures of 7156470, 7156471, 7156472, 7156473 via cif-deposit CGI script.	7156473.cif