Crystallography Open Database

Information card for entry 2242231

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Structure parameters

Common name	2,3-Diethyl-5,12-bis(piperidin-1-yl)naphtho[2,3-<i>g</i>]quinoxaline-6,11-dione
Chemical name	2,3-Diethyl-5,12-bis(piperidin-1-yl)naphtho[2,3-<i>g</i>]quinoxaline-6,11-dione
Formula	C30 H34 N4 O2
Calculated formula	C30 H34 N4 O2
SMILES	O=C1c2c(N3CCCCC3)c3nc(c(nc3c(N3CCCCC3)c2C(=O)c2c1cccc2)CC)CC
Title of publication	Crystal structures of two 2,3-diethylnaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione derivatives
Authors of publication	Forsyth, Craig M.; Francis, Craig L.
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	8
Pages of publication	1125 - 1129
a	11.6144 ± 0.0006 Å
b	11.8249 ± 0.0005 Å
c	19.0526 ± 0.0009 Å
α	75.102 ± 0.002°
β	77.31 ± 0.002°
γ	83.321 ± 0.002°
Cell volume	2462 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0819
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
199195 (current)	2017-07-25	cif/ hkl/ Adding structures of 2242230, 2242231 via cif-deposit CGI script.	2242231.cif 2242231.hkl