Crystallography Open Database

Information card for entry 7128821

Preview

Coordinates	7128821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 Cl3 N3 O6
Calculated formula	C31 H26 Cl3 N3 O6
Title of publication	Diastereoselective trifunctionalization of pyridinium salts to access structurally crowded azaheteropolycycles.
Authors of publication	Cui, Zhaohui; Zhang, Kuan; Gu, Lijie; Bu, Zhanwei; Zhao, Junwei; Wang, Qilin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	74
Pages of publication	9402 - 9405
a	8.9528 ± 0.0003 Å
b	12.4499 ± 0.0005 Å
c	26.0558 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2904.2 ± 0.2 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269651 (current)	2021-10-06	cif/ Updating files of 7128819, 7128820, 7128821, 7128822 Original log message: Adding full bibliography for 7128819--7128822.cif.	7128821.cif
268087	2021-08-17	cif/ Adding structures of 7128819, 7128820, 7128821, 7128822 via cif-deposit CGI script.	7128821.cif