Crystallography Open Database

Information card for entry 3000097

Preview

No preview available: structure is on hold until 2017-06-26

Coordinates	Coordinates are not available: structure is on hold until 2017-06-26

Structure parameters

Chemical name	2-(1-piperidinium)ethanol p-hydroxybenzoate hydrate
Formula	C14 H23 N O5
Authors of publication	Roszak; Katrusiak, Andrzej; Dega-Szafran, Zofia
Journal of publication	To be published
a	14.532 ± 0.004 Å
b	8.0118 ± 0.0014 Å
c	14.157 ± 0.004 Å
α	90°
β	113.84 ± 0.03°
γ	90°
Cell volume	1507.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1807
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.