Crystallography Open Database

Information card for entry 1571247

Preview

Coordinates	1571247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17.36 H22.73 N2 O
Calculated formula	C17.37 H22.74 N2 O
Title of publication	Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.
Authors of publication	Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	15
Pages of publication	5730 - 5737
a	8.1586 ± 0.0003 Å
b	21.503 ± 0.0008 Å
c	8.6653 ± 0.0003 Å
α	90°
β	95.275 ± 0.003°
γ	90°
Cell volume	1513.75 ± 0.1 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.07
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
291578 (current)	2024-05-05	cif/ Updating files of 1571247, 1571248 Original log message: Adding full bibliography for 1571247--1571248.cif.	1571247.cif
290502	2024-03-15	cif/ Adding structures of 1571247, 1571248 via cif-deposit CGI script.	1571247.cif