Information card for entry 2200606

Structure parameters

• Chemical name: N,N'-bis(salicylidene)-1,4,butanediamine
• Formula: C18 H20 N2 O2
• Calculated formula: C18 H20 N2 O2
• SMILES: Oc1ccccc1/C=N/CCCC/N=C/c1ccccc1O
• Title of publication: <i>N</i>,<i>N</i>'-Bis(salicylidene)-1-4-butanediamine
• Authors of publication: Kennedy, Alan R.; Reglinski, John
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1027 - o1028
• a: 8.733 ± 0.0002 Å
• b: 5.871 ± 0.0003 Å
• c: 15.307 ± 0.0006 Å
• α: 90°
• β: 90.535 ± 0.001°
• γ: 90°
• Cell volume: 784.78 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections: 0.1351
• Weighted residual factors for significantly intense reflections: 0.1058
• Goodness-of-fit parameter for all reflections: 1.194
• Goodness-of-fit parameter for significantly intense reflections: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes