Information card for entry 1543198

Structure parameters

• Formula: C26 H14 N6 O6
• Calculated formula: C26 H14 N6 O6
• SMILES: c1cc(ccn1)C(=O)NN1C(=O)c2ccc3C(=O)N(C(=O)c4ccc(C1=O)c2c34)NC(=O)c1ccncc1
• Title of publication: First report of charge-transfer induced heat-set hydrogel. Structural insights and remarkable properties.
• Authors of publication: Bhattacharjee, Subham; Maiti, Bappa; Bhattacharya, Santanu
• Journal of publication: Nanoscale
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 11224 - 11233
• a: 8.1387 ± 0.0007 Å
• b: 10.1108 ± 0.0009 Å
• c: 16.5691 ± 0.0015 Å
• α: 96.538 ± 0.005°
• β: 97.798 ± 0.005°
• γ: 107.518 ± 0.005°
• Cell volume: 1270.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0684
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No