Crystallography Open Database

Information card for entry 2010621

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Structure parameters

Chemical name	methyl N-[naphtyl-(3,4,5-trimethoxyphenyl)-methyl]pyroglutamate
Formula	C28 H30 N O8
Calculated formula	C28 H30 N O8
SMILES	CC(=O)OOC(=O)C.COC(=O)[C@H]1CCC(=O)N1[C@@H](c1cccc2c1cccc2)c1cc(OC)c(c(c1)OC)OC.COC(=O)[C@@H]1CCC(=O)N1[C@H](c1cccc2c1cccc2)c1cc(OC)c(c(c1)OC)OC
Title of publication	Structural analysis of pyrrolidinones
Authors of publication	Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	2
Pages of publication	193 - 196
a	9.19 ± 0.001 Å
b	11.333 ± 0.001 Å
c	14.756 ± 0.001 Å
α	89.292 ± 0.007°
β	73.923 ± 0.005°
γ	66.722 ± 0.007°
Cell volume	1348.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.2098
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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