Crystallography Open Database

Information card for entry 3000485

Preview

No preview available: structure is on hold until 2024-07-21

Coordinates	Coordinates are not available: structure is on hold until 2024-07-21

Structure parameters

Chemical name	3?-oxo-1,3,3?,4?-tetrahydro-1?H-spiro[imidazo[1,2-a] quinoline-2,2?-quinoxalin]-10-ium bromide
Formula	C21 H22 Br N5 O2
Authors of publication	Aidar T. Gubaidullin
Journal of publication	To be published in Russian Chemical Bulletin
a	9.1857 ± 0.0007 Å
b	9.778 ± 0.0008 Å
c	11.8397 ± 0.0009 Å
α	90.952 ± 0.003°
β	100.32 ± 0.002°
γ	97.127 ± 0.003°
Cell volume	1037.31 ± 0.14 Å³
Cell temperature	111 ± 2 K
Ambient diffraction temperature	111 ± 2 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.