Crystallography Open Database

Information card for entry 2010623

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Structure parameters

Chemical name	5-(3,4,5-trimethoxyphenyl)-1,2,3,5,12,12a-hexahydronaphto[1,2-f] indolizine-3,12-dione
Formula	C25 H23 N O5
Calculated formula	C25 H23 N O5
SMILES	[C@H]1(c2cc(c(c(c2)OC)OC)OC)c2c(ccc3ccccc23)C(=O)[C@H]2N1C(=O)CC2.[C@@H]1(c2cc(c(c(c2)OC)OC)OC)c2c(ccc3ccccc23)C(=O)[C@@H]2N1C(=O)CC2
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	10.868 ± 0.001 Å
b	12.937 ± 0.001 Å
c	15.049 ± 0.001 Å
α	90°
β	96.009 ± 0.004°
γ	90°
Cell volume	2104.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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