Crystallography Open Database

Information card for entry 2244172

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2244172.hkl
Original paper (by DOI)	HTML

Structure parameters

Common name	4-Phenylpiperazin-1-ium tartarate monohydrate
Chemical name	4-Phenylpiperazin-1-ium 4-carboxy-2,3-dihydroxybutanoate monohydrate
Formula	C14 H22 N2 O7
Calculated formula	C14 H22 N2 O7
Title of publication	The structures of eleven (4-phenyl)piperazinium salts containing organic anions
Authors of publication	Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	10
Pages of publication	1016 - 1027
a	7.1185 ± 0.0007 Å
b	7.5255 ± 0.0008 Å
c	29.955 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1604.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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