Information card for entry 2219024

Structure parameters

• Chemical name: 1,1'-[(Hexane-1,6-diyldioxy)bis(nitrilomethylidyne)]dinaphthalene
• Formula: C28 H28 N2 O2
• Calculated formula: C28 H28 N2 O2
• SMILES: C(CCO/N=C/c1cccc2c1cccc2)CCCO/N=C/c1cccc2c1cccc2
• Title of publication: 1,1'-[(Hexane-1,6-diyldioxy)bis(nitrilomethylidyne)]dinaphthalene
• Authors of publication: Dong, Wen-Kui; He, Xue-Ni; Li, Li; Lv, Zhong-Wu; Tong, Jun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1405
• a: 9.2925 ± 0.0016 Å
• b: 6.3938 ± 0.0012 Å
• c: 19.723 ± 0.002 Å
• α: 90°
• β: 96.489 ± 0.002°
• γ: 90°
• Cell volume: 1164.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1161
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes