Information card for entry 2203366

Structure parameters

• Common name: 2,7-Bis(3',4'-dicyanophenoxy)naphthalene
• Chemical name: 4,4'-Naphthalene-2,7-dioxydibenzene-1,2-dicarbonitrile
• Formula: C26 H12 N4 O2
• Calculated formula: C26 H12 N4 O2
• SMILES: O(c1cc2cc(Oc3cc(c(C#N)cc3)C#N)ccc2cc1)c1cc(c(cc1)C#N)C#N
• Title of publication: 2,7-Bis(3,4-dicyanophenoxy)naphthalene
• Authors of publication: Ocak, Nazan; Işık, Şamil; Akdemir, Nesuhi; Ağar, Erbil; Gümrükçüoğlu, Ismail Erdem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o435 - o436
• a: 8.3592 ± 0.001 Å
• b: 7.53 ± 0.0005 Å
• c: 31.368 ± 0.003 Å
• α: 90°
• β: 97.4 ± 0.009°
• γ: 90°
• Cell volume: 1958 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes