Information card for entry 2203194

Structure parameters

• Formula: C23 H13 N2 O
• Calculated formula: C23 H13 N2 O
• SMILES: N#Cc1cc(OCc2c3ccccc3cc3c2cccc3)ccc1C#N
• Title of publication: 4-(Anthracen-9-ylmethoxy)phthalonitrile
• Authors of publication: Petek, Hande; Işık, Şamil; Akdemir, Nesuhi; Kantar, Cihan; Aǧar, Erbil; Şenel, İsmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o256 - o257
• a: 6.1396 ± 0.0004 Å
• b: 13.6929 ± 0.0012 Å
• c: 20.4225 ± 0.0013 Å
• α: 90°
• β: 97.51 ± 0.005°
• γ: 90°
• Cell volume: 1702.2 ± 0.2 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: 0.0736
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes