Crystallography Open Database

Information card for entry 1573805

Preview

Coordinates	1573805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 Br N3 O3
Calculated formula	C30 H20 Br N3 O3
Title of publication	Discovery of intermolecular cascade annulation for dihydrobenzo[<i>b</i>][1,8]naphthyridine-ylidene-pyrrolidinetriones.
Authors of publication	Luo, Wenjun; Zheng, Xinghua; Lin, Hehua; Fu, Li; Long, Lipeng; Yu, Daohong; Chen, Zhengwang; Yang, Min; Wang, Zhong-Xia
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	9
Pages of publication	4119 - 4126
a	15.7313 ± 0.0006 Å
b	13.606 ± 0.0005 Å
c	24.1199 ± 0.001 Å
α	90°
β	108.505 ± 0.001°
γ	90°
Cell volume	4895.7 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
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	0.0445
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298150 (current)	2025-03-04	cif/ Updating files of 1573805 Original log message: Adding full bibliography for 1573805.cif.	1573805.cif
297528	2025-01-30	cif/ Adding structures of 1573805 via cif-deposit CGI script.	1573805.cif