Information card for entry 2222622

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(4-pyridylmethylene)octane-1,8-diamine
• Formula: C20 H26 N4
• Calculated formula: C20 H26 N4
• SMILES: C(CCC/N=C/c1ccncc1)CCCC/N=C/c1ccncc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-pyridylmethylene)octane-1,8-diamine
• Authors of publication: Patra, Goutam Kumar; Mukherjee, Anindita; Mitra, Partha; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1728
• a: 11.6285 ± 0.0004 Å
• b: 9.3821 ± 0.0003 Å
• c: 8.8302 ± 0.0003 Å
• α: 90°
• β: 111.143 ± 0.002°
• γ: 90°
• Cell volume: 898.52 ± 0.05 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes