Information card for entry 2227686

Structure parameters

• Chemical name: 11-[(<i>E</i>)-4-Bromobenzylidene]-8-(4-bromophenyl)-14-hydroxy-3,13- diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa- 1(22),15,17,19(23),20-pentaen-10-one
• Formula: C35 H28 Br2 N2 O2
• Calculated formula: C35 H28 Br2 N2 O2
• SMILES: Brc1ccc(cc1)/C=C\1C(=O)[C@@]23CN(C1)[C@@]1(O)[C@]3(N3[C@@H]([C@H]2c2ccc(Br)cc2)CCC3)c2cccc3cccc1c23.Brc1ccc(cc1)/C=C\1C(=O)[C@]23CN(C1)[C@]1(O)[C@@]3(N3[C@H]([C@@H]2c2ccc(Br)cc2)CCC3)c2cccc3cccc1c23
• Title of publication: 11-[(<i>E</i>)-4-Bromobenzylidene]-8-(4-bromophenyl)-14-hydroxy-3,13-diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa-1(22),15,17,19(23),20-pentaen-10-one
• Authors of publication: Kumar, Raju Suresh; Osman, Hasnah; Ali, Mohamed Ashraf; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2926 - o2927
• a: 8.4833 ± 0.001 Å
• b: 11.8334 ± 0.0013 Å
• c: 14.8942 ± 0.0017 Å
• α: 79.868 ± 0.002°
• β: 80.705 ± 0.002°
• γ: 77.359 ± 0.002°
• Cell volume: 1424.4 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes