Information card for entry 7056531

Structure parameters

• Formula: C32 H28 N6 O6
• Calculated formula: C32 H28 N6 O6
• Title of publication: Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion
• Authors of publication: Baruah, Jubaraj Bikash; Tarai, Arup
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 10750 - 10760
• a: 9.4179 ± 0.0005 Å
• b: 9.5207 ± 0.0005 Å
• c: 16.3424 ± 0.0008 Å
• α: 86.803 ± 0.004°
• β: 88.439 ± 0.003°
• γ: 69.925 ± 0.004°
• Cell volume: 1374.12 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No