Information card for entry 2227526

Structure parameters

• Chemical name: 5-[(<i>E</i>)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10- diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa- 1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate
• Formula: C33.5 H30.7 N2 O2.85
• Calculated formula: C33.5 H30.7 N2 O2.85
• Title of publication: 5-[(<i>E</i>)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate
• Authors of publication: Kumar, Raju Suresh; Osman, Hasnah; Perumal, Subbu; 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: o2736 - o2737
• a: 19.3839 ± 0.0003 Å
• b: 19.3839 ± 0.0003 Å
• c: 14.0757 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5288.74 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes