Crystallography Open Database

Information card for entry 2011719

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Structure parameters

Chemical name	Dimethyl 3-benzyl-2-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanedioate
Formula	C17 H20 N2 O6
Calculated formula	C17 H20 N2 O6
SMILES	O(C(=O)[C@H]([C@H](N1C(=O)[C@@H](NC1=O)C)C(=O)OC)Cc1ccccc1)C.O(C(=O)[C@@H]([C@@H](N1C(=O)[C@@H](NC1=O)C)C(=O)OC)Cc1ccccc1)C
Title of publication	Diméthyl 3-benzyl-2-(4-méthyl-2,5-dioxoimidazolidin-1-yl)butanedioate
Authors of publication	Rolland, Marc; Jenhi, Aicha; Lavergne, Jean-Pierre; Martinez, Jean; Hasnaoui, Aïssa
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	1
Pages of publication	62 - 63
a	11.0323 ± 0.0007 Å
b	11.7742 ± 0.0004 Å
c	14.1121 ± 0.0009 Å
α	90°
β	99.38 ± 0.002°
γ	90°
Cell volume	1808.6 ± 0.17 Å³
Cell temperature	298 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	0.069
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections	1.215
Goodness-of-fit parameter for all reflections included in the refinement	1.241
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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