Crystallography Open Database

Information card for entry 7160317

Preview

Coordinates	7160317.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Aea2
Formula	C23 H31 Al N2 O4
Calculated formula	C23 H31 Al N2 O4
Title of publication	Aluminum-catalyzed anti-Markovnikov hydroamination of aromatic alkenes with aromatic amines.
Authors of publication	Yan, Wenliang; Ma, Xiaoli; Li, Qifeng; Pang, Ziyuan; Yang, Xiaobo; Chen, Yiwen; Yang, Zhi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	6
Pages of publication	1347 - 1353
a	14.4662 ± 0.0005 Å
b	21.9361 ± 0.0007 Å
c	15.0299 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4769.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
299102 (current)	2025-04-05	cif/ Updating files of 7160317 Original log message: Adding full bibliography for 7160317.cif.	7160317.cif
297023	2025-01-01	cif/ Adding structures of 7160317 via cif-deposit CGI script.	7160317.cif