Crystallography Open Database

Information card for entry 7156472

Preview

Coordinates	7156472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N O
Calculated formula	C19 H19 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	9.2569 ± 0.0018 Å
b	15.608 ± 0.002 Å
c	10.8924 ± 0.0018 Å
α	90°
β	105.432 ± 0.019°
γ	90°
Cell volume	1517 ± 0.5 Å³
Cell temperature	232 ± 6 K
Ambient diffraction temperature	232 ± 6 K
Number of distinct elements	4
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	0.1253
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.1884
Weighted residual factors for all reflections included in the refinement	0.2195
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
230681 (current)	2019-11-17	cif/ Updating files of 7156470, 7156471, 7156472, 7156473 Original log message: Adding full bibliography for 7156470--7156473.cif.	7156472.cif
211314	2018-10-04	cif/ Adding structures of 7156470, 7156471, 7156472, 7156473 via cif-deposit CGI script.	7156472.cif