Information card for entry 2202707

Structure parameters

• Chemical name: 4-(2-indanoxy)phthalonitrile
• Formula: C17 H12 N2 O
• Calculated formula: C17 H12 N2 O
• SMILES: O(c1cc(C#N)c(cc1)C#N)C1Cc2c(cccc2)C1
• Title of publication: 4-(2-Indanoxy)phthalonitrile
• Authors of publication: Işık, Şamil; Köysal, Yavuz; Akdemir, Nesuhi; Cihan, Kantar; Ag̃ar, Erbil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1481 - o1482
• a: 8.4711 ± 0.0008 Å
• b: 13.4082 ± 0.0008 Å
• c: 11.8736 ± 0.0011 Å
• α: 90°
• β: 99.056 ± 0.008°
• γ: 90°
• Cell volume: 1331.8 ± 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes