Information card for entry 2008931

Structure parameters

• Formula: C23 H30 N2 O4
• Calculated formula: C23 H30 N2 O4
• SMILES: CC(=C/C(=O)c1ccccc1)/NCCCN/C(=C\C(=O)c1ccccc1)C.O.O
• Title of publication: 3,9-Dimethyl-1,11-diphenyl-4,8-diazaundecane-1,11-dione dihydrate
• Authors of publication: Elerman, Yalçin; Kabak, Mehmet; Kara, Hülya; Güven, Kutalmıs̨; Naki̇poǧlu, Canan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1508 - 1511
• a: 24.83 ± 0.002 Å
• b: 9.642 ± 0.002 Å
• c: 9.176 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2196.8 ± 1.5 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes