Information card for entry 2202553

Structure parameters

• Chemical name: 4,4'-(N-Phenyl-2,2'-iminodiethanoxy)diphthalonitrile
• Formula: C26 H19 N5 O2
• Calculated formula: C26 H19 N5 O2
• SMILES: O(c1cc(c(cc1)C#N)C#N)CCN(c1ccccc1)CCOc1cc(c(cc1)C#N)C#N
• Title of publication: 4,4'-(<i>N</i>-Phenyl-2,2'-iminodiethanoxy)diphthalonitrile
• Authors of publication: Ocak, Nazan; Aǧar, Ayşen; Akdemir, Nesuhi; Aǧar, Erbil; García-Granda, S.; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1000 - o1001
• a: 16.621 ± 0.005 Å
• b: 9.004 ± 0.005 Å
• c: 31.494 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4713 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes