Crystallography Open Database

Information card for entry 7125661

Preview

Coordinates	7125661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 Br N O2
Calculated formula	C25 H18 Br N O2
Title of publication	Solvent-controlled divergent annulation of ynones and (iso)quinoline N-oxides: of 3-((iso)quinolin-1-yl)-4H-chromen-4-ones and 13H-isoquinolino[2,1-a]quinolin-13-ones.
Authors of publication	Yang, Wan-Wan; Chen, Lu-Lu; Chen, Pei; Ye, Ya-Fang; Wang, Yan-Bo; Zhang, Xiao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	8
Pages of publication	1183 - 1186
a	7.411 ± 0.002 Å
b	12.752 ± 0.004 Å
c	21.926 ± 0.006 Å
α	77.759 ± 0.008°
β	88.648 ± 0.009°
γ	85.507 ± 0.008°
Cell volume	2018.7 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1752
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1901
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
247584 (current)	2020-02-04	cif/ Updating files of 7125659, 7125660, 7125661 Original log message: Adding full bibliography for 7125659--7125661.cif.	7125661.cif
245228	2019-12-17	cif/ Adding structures of 7125659, 7125660, 7125661 via cif-deposit CGI script.	7125661.cif