Crystallography Open Database

Information card for entry 2214496

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Structure parameters

Common name	4,10-Bis[N,N'-(2-ethyl)phthalimido]-1,7-dioxa-4,10-diazacyclododecane
Chemical name	N,N'-[(1,7-Dioxa-4,10-diazacyclododecane-2,10-diyl)diethylene]diphthalimide
Formula	C28 H32 N4 O6
Calculated formula	C28 H32 N4 O6
SMILES	O=C1N(CCN2CCOCCN(CCOCC2)CCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
Title of publication	<i>N</i>,<i>N</i>'-[(1,7-Dioxa-4,10-diazacyclododecane-2,10-diyl)diethylene]diphthalimide
Authors of publication	Sheng, Xin; Wu, Dong-Hua; Jia, Zhao-Li; Shao, Ying; Lu, Guo-Yuan
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	o3614 - o3614
a	11.014 ± 0.013 Å
b	8.986 ± 0.011 Å
c	13.688 ± 0.016 Å
α	90°
β	109.746 ± 0.018°
γ	90°
Cell volume	1275 ± 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	0.0742
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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