Information card for entry 4513965

Structure parameters

• Formula: C28 H28 I2 N6 O4
• Calculated formula: C28 H28 I2 N6 O4
• SMILES: c1n(cc[n+]1C)CCCN1C(=O)c2c3c(C1=O)ccc1C(=O)N(CCCn4c[n+](cc4)C)C(=O)c(c31)cc2.[I-].[I-]
• Title of publication: Anion-Exchange Induced Strong π-π Interactions in Single Crystalline Naphthalene Diimide for Nitroexplosive Sensing: An Electronic Prototype for Visual on-Site Detection.
• Authors of publication: Kalita, Anamika; Hussain, Sameer; Malik, Akhtar Hussain; Barman, Ujjwol; Goswami, Namami; Iyer, Parameswar Krishnan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 38
• Pages of publication: 25326 - 25336
• a: 8.0011 ± 0.0006 Å
• b: 13.7926 ± 0.001 Å
• c: 13.685 ± 0.001 Å
• α: 90°
• β: 103.864 ± 0.005°
• γ: 90°
• Cell volume: 1466.22 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1042
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No