Information card for entry 2202504

Structure parameters

• Chemical name: 4,5-Bis(1-naphthoxy)phthalonitrile
• Formula: C28 H16 N2 O2
• Calculated formula: C28 H16 N2 O2
• SMILES: O(c1cc(c(cc1Oc1cccc2c1cccc2)C#N)C#N)c1cccc2c1cccc2
• Title of publication: 4,5-Bis(1-naphthoxy)phthalonitrile
• Authors of publication: Karakurt, Tuncay; Dinçer, Muharrem; Nesuhi, Akdemir; Kantar, Cihan; Ağar, Erbil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1748 - o1750
• a: 9.9667 ± 0.0014 Å
• b: 10.4946 ± 0.0015 Å
• c: 11.2637 ± 0.0016 Å
• α: 116.931 ± 0.011°
• β: 99.441 ± 0.011°
• γ: 93.57 ± 0.012°
• Cell volume: 1023.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes