Information card for entry 2214496

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 ų
• 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 Fobs: Yes