Crystallography Open Database

Information card for entry 3000417

Preview

No preview available: structure is on hold until 2023-09-20

Coordinates	Coordinates are not available: structure is on hold until 2023-09-20
Structure factors	Structure factors are not available: structure is on hold until 2023-09-20

Structure parameters

Formula	C13 H17 B N6
Authors of publication	Toms Rekis
Journal of publication	To be published
a	8.9447 ± 0.0001 Å
b	10.3069 ± 0.0002 Å
c	17.2111 ± 0.0004 Å
α	90°
β	97.4652 ± 0.0016°
γ	90°
Cell volume	1573.28 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0755
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.5 Å
Diffraction radiation type	synchrotron
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.