Crystallography Open Database

Information card for entry 1571815

Preview

Coordinates	1571815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 Br N6 O
Calculated formula	C25 H19 Br N6 O
Title of publication	Chiral π-Cu(ii)-catalyzed site-, <i>exo</i>/<i>endo</i>-, and enantioselective dearomative (3 + 2) cycloadditions of isoquinolinium ylides with enamides, dienamides, and a trienamide.
Authors of publication	Guo, Weiwei; Huang, Jianhao; Ishihara, Kazuaki
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	28
Pages of publication	10926 - 10934
a	8.2893 ± 0.0003 Å
b	14.163 ± 0.0004 Å
c	10.0325 ± 0.0003 Å
α	90°
β	103.686 ± 0.003°
γ	90°
Cell volume	1144.39 ± 0.06 Å³
Cell temperature	123.15 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
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
293744 (current)	2024-08-05	cif/ Updating files of 1571815 Original log message: Adding full bibliography for 1571815.cif.	1571815.cif
292322	2024-06-13	cif/ Adding structures of 1571815 via cif-deposit CGI script.	1571815.cif