Information card for entry 2203210

Structure parameters

• Chemical name: 4-(2-Methoxy-1-naphthylmethoxy)phthalonitrile
• Formula: C20 H14 N2 O2
• Calculated formula: C20 H14 N2 O2
• SMILES: O(C)c1c(c2c(cc1)cccc2)COc1ccc(c(c1)C#N)C#N
• Title of publication: 4-(2-Methoxy-1-naphthylmethoxy)phthalonitrile
• Authors of publication: Yavuz Köysal; Şamil Işık; Nesuhi Akdemir; Erbil Ag̃ar; Cihan Kantar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o285 - o286
• a: 13.1166 ± 0.0009 Å
• b: 12.0736 ± 0.0012 Å
• c: 20.9806 ± 0.0015 Å
• α: 90°
• β: 104.454 ± 0.005°
• γ: 90°
• Cell volume: 3217.4 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1456
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.68
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes