Crystallography Open Database

Information card for entry 2203465

2203464 << 2203465 >> 2203466

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Structure parameters

Chemical name	L-histidinium tetrafluorosuccinate
Formula	C10 H11 F4 N3 O6
Calculated formula	C10 H11 F4 N3 O6
SMILES	O=C(O)[C@@H]([NH3+])Cc1[nH+]c[nH]c1.FC(F)(C(=O)[O-])C(F)(F)C(=O)[O-]
Title of publication	<small>L</small>-Histidinium tetrafluorosuccinate
Authors of publication	Akkurt, Mehmet; Öztürk, Sema; Ramajothi, Jayaraman; Büyükgüngör, Orhan; Dhanuskodi, Sivasubramanian
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	o481 - o483
a	21.8863 ± 0.0016 Å
b	5.1411 ± 0.0004 Å
c	15.5619 ± 0.0012 Å
α	90°
β	132.601 ± 0.005°
γ	90°
Cell volume	1288.9 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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