Information card for entry 2226220

Structure parameters

• Chemical name: 19-[(<i>E</i>)-4-Chlorobenzylidene]-16-(4-chlorophenyl)-2-hydroxy- 1,11-diazahexacyclo[15.3.1.0^2,10^.0^3,8^.0^10,17^.0^11,15^]henicosa- 3(8),4,6-triene-9,18-dione
• Formula: C32 H26 Cl2 N2 O3
• Calculated formula: C32 H26 Cl2 N2 O3
• SMILES: Clc1ccc(cc1)/C=C\1C(=O)[C@@]23CN(C1)[C@]1(O)[C@@]2(N2CCC[C@H]2[C@@H]3c2ccc(Cl)cc2)C(=O)c2c1cccc2.Clc1ccc(cc1)/C=C\1C(=O)[C@]23CN(C1)[C@@]1(O)[C@]2(N2CCC[C@@H]2[C@H]3c2ccc(Cl)cc2)C(=O)c2c1cccc2
• Title of publication: 19-[(<i>E</i>)-4-Chlorobenzylidene]-16-(4-chlorophenyl)-2-hydroxy-1,11-diazahexacyclo[15.3.1.0^2,10^.0^3,8^.0^10,17^.0^11,15^]henicosa-3(8),4,6-triene-9,18-dione
• Authors of publication: Kumar, Raju Suresh; Osman, Hasnah; Abdul Rahim, Aisyah Saad; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1444 - o1445
• a: 14.603 ± 0.002 Å
• b: 10.5701 ± 0.0014 Å
• c: 21.808 ± 0.002 Å
• α: 90°
• β: 130.094 ± 0.006°
• γ: 90°
• Cell volume: 2575.1 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes