Information card for entry 2232550

Structure parameters

• Chemical name: Bis{2,6-bis[(2-hydroxy-5-methylphenyl)iminomethyl]pyridine} monohydrate
• Formula: C42 H40 N6 O5
• Calculated formula: C42 H40 N6 O5
• SMILES: Oc1ccc(cc1/N=C/c1cccc(n1)/C=N/c1cc(C)ccc1O)C.Oc1ccc(cc1/N=C/c1cccc(n1)/C=N/c1cc(C)ccc1O)C.O
• Title of publication: Bis{2,6-bis[(2-hydroxy-5-methylphenyl)iminomethyl]pyridine} monohydrate
• Authors of publication: Kose, Muhammet; McKee, Vickie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3193
• a: 23.851 ± 0.0013 Å
• b: 12.9688 ± 0.0007 Å
• c: 12.3835 ± 0.0007 Å
• α: 90°
• β: 114.077 ± 0.001°
• γ: 90°
• Cell volume: 3497.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes