Crystallography Open Database

Information card for entry 2102098

2102097 << 2102098 >> 2102099

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Coordinates	2102098.cif
Original IUCr paper	HTML

Structure parameters

Common name	L-lysine complexed with maleic acid
Formula	C10 H18 N2 O6
Calculated formula	C10 H18 N2 O6
SMILES	[NH3+][C@H](C(=O)[O-])CCCC[NH3+].[O-]C(=O)/C=C/C(=O)O
Title of publication	X-ray studies on crystalline complexes involving amino acids and peptides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with <small>L</small>-histidine and <small>L</small>-lysine
Authors of publication	J.V. Pratap; R. Ravishankar; M.Vijayan
Journal of publication	Acta Crystallographica Section B
Year of publication	2000
Journal volume	56
Journal issue	4
Pages of publication	690 - 696
a	9.854 ± 0.004 Å
b	7.136 ± 0.002 Å
c	9.7388 ± 0.0001 Å
α	90°
β	115.887 ± 0.012°
γ	90°
Cell volume	616.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1163
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for all reflections	0.1689
Weighted residual factors for significantly intense reflections	0.1351
Goodness-of-fit parameter for all reflections	1.064
Goodness-of-fit parameter for significantly intense reflections	1.053
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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