Crystallography Open Database

Information card for entry 3000165

Preview

No preview available: structure is on hold until 2018-06-10

Coordinates	Coordinates are not available: structure is on hold until 2018-06-10

Structure parameters

Formula	C9 H10 Br N O2
Title of publication	?
Authors of publication	Roszak; Katrusiak, Andrzej
Journal of publication	To be published
a	7.348 ± 0.0002 Å
b	7.6 ± 0.0002 Å
c	10.0689 ± 0.0003 Å
α	110.318 ± 0.002°
β	110.679 ± 0.002°
γ	92.541 ± 0.002°
Cell volume	484.32 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0219
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.