Information card for entry 2202740

Structure parameters

• Chemical name: 4-(1-Naphthoxy)phthalonitrile
• Formula: C18 H10 N2 O
• Calculated formula: C18 H10 N2 O
• SMILES: c1ccc2c(c1)c(Oc1ccc(C#N)c(C#N)c1)ccc2
• Title of publication: 4-(1-Naphthoxy)phthalonitrile
• Authors of publication: Karadayı, Nevzat; Akdemir, Nesuhi; Ag̃ar, Erbil; Gümrükçüoǧlu, I.E.; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o945 - o946
• a: 17.7196 ± 0.0013 Å
• b: 12.0092 ± 0.0011 Å
• c: 13.28 ± 0.0019 Å
• α: 90°
• β: 97.976 ± 0.008°
• γ: 90°
• Cell volume: 2798.6 ± 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: 0.0808
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.725
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes