Crystallography Open Database

Information card for entry 3000173

Preview

No preview available: structure is on hold until 2018-07-08

Coordinates	Coordinates are not available: structure is on hold until 2018-07-08

Structure parameters

Common name	MPBxHBA
Chemical name	Complex of N-methyl piperidine betaine with p-hydroxybenzoic acid
Formula	C15 H21 N O5
Authors of publication	Owczarzak, A. Kubicki, M.
Journal of publication	To be published
a	6.0511 ± 0.0001 Å
b	10.56 ± 0.0002 Å
c	11.9819 ± 0.0002 Å
α	109.277 ± 0.002°
β	95.58 ± 0.002°
γ	99.312 ± 0.002°
Cell volume	703.8 ± 0.02 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.264
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.