Crystallography Open Database

Information card for entry 2019994

2019993 << 2019994 >> 2019995

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Structure parameters

Chemical name	<i>L</i>-Leucinium hydrogen maleate
Formula	C10 H17 N O6
Calculated formula	C10 H17 N O6
SMILES	O=C(O)/C=C\C(=O)[O-].O=C(O)[C@@H]([NH3+])CC(C)C
Title of publication	New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline
Authors of publication	Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	7
a	21.7231 ± 0.0019 Å
b	5.6603 ± 0.0004 Å
c	32.075 ± 0.003 Å
α	90°
β	98.95 ± 0.008°
γ	90°
Cell volume	3895.9 ± 0.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.2503
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	0.94
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181869 (current)	2016-04-06	hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99.	2019994.cif 2019994.hkl
139369	2015-06-19	cif/ hkl/ Adding structures of 2019994, 2019995, 2019996 via cif-deposit CGI script.	2019994.cif 2019994.hkl