Crystallography Open Database

Information card for entry 7160177

Preview

Coordinates	7160177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 N O3
Calculated formula	C23 H19 N O3
Title of publication	Palladium-catalyzed C-H bond activation and decarboxylation for the assembly of indolo[1,2-<i>f</i>]phenanthridine.
Authors of publication	Liu, Xiaobing; Ban, Yong-Liang; Liu, Yanjie; Zhuang, Mengdie; Zhou, Yao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	47
Pages of publication	9188 - 9191
a	14.5848 ± 0.0015 Å
b	8.7233 ± 0.001 Å
c	15.8098 ± 0.0018 Å
α	90°
β	115.796 ± 0.013°
γ	90°
Cell volume	1811 ± 0.4 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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	0.1262
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296691 (current)	2024-12-06	cif/ Updating files of 7160177 Original log message: Adding full bibliography for 7160177.cif.	7160177.cif
295468	2024-10-13	cif/ Adding structures of 7160177 via cif-deposit CGI script.	7160177.cif