Information card for entry 2228085

Structure parameters

• Chemical name: 5-[(<i>E</i>)-2-Bromobenzylidene]-8-(2-bromophenyl)-2-hydroxy-10-methyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa-1(20),12,14,16,18-pentaen-6-one
• Formula: C33 H26 Br2 N2 O2
• Calculated formula: C33 H26 Br2 N2 O2
• SMILES: Brc1ccccc1/C=C1/C(=O)[C@@]23CN(C1)[C@]1(O)[C@@]2(N(C[C@@H]3c2c(Br)cccc2)C)c2cccc3cccc1c23.Brc1ccccc1/C=C1/C(=O)[C@]23CN(C1)[C@@]1(O)[C@]2(N(C[C@H]3c2c(Br)cccc2)C)c2cccc3cccc1c23
• Title of publication: 5-[(<i>E</i>)-2-Bromobenzylidene]-8-(2-bromophenyl)-2-hydroxy-10-methyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa-1(20),12,14,16,18-pentaen-6-one
• Authors of publication: Kumar, Raju Suresh; Osman, Hasnah; Ali, Mohamed Ashraf; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2376 - o2377
• a: 8.3334 ± 0.0014 Å
• b: 12.4213 ± 0.0019 Å
• c: 12.8062 ± 0.0019 Å
• α: 80.623 ± 0.004°
• β: 79.787 ± 0.004°
• γ: 88.213 ± 0.004°
• Cell volume: 1287.2 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes