Information card for entry 2225170

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(3-nitrobenzylidene)-2,2'-[2-(3- nitrophenyl)imidazolidine-1,3-diyl]diethanamine
• Formula: C27 H27 N7 O6
• Calculated formula: C27 H27 N7 O6
• SMILES: O=N(=O)c1cc(ccc1)/C=N/CCN1CCN(CC/N=C/c2cccc(N(=O)=O)c2)C1c1cccc(N(=O)=O)c1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3-nitrobenzylidene)-2,2'-[2-(3-nitrophenyl)imidazolidine-1,3-diyl]diethanamine
• Authors of publication: Habibi, Mohammad Hossein; Abarghooei-Shirazi, Narges; Yamane, Yuki; Suzuki, Takayoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o501
• a: 13.3411 ± 0.0012 Å
• b: 10.4347 ± 0.0008 Å
• c: 19.8517 ± 0.0017 Å
• α: 90°
• β: 103.446 ± 0.003°
• γ: 90°
• Cell volume: 2687.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes