Information card for entry 7210694

Structure parameters

• Formula: C34 H26 N2 O10
• Calculated formula: C34 H26 N2 O10
• SMILES: O=C1N(C(=O)c2ccc3C(=O)N([C@@H](Cc4ccc(O)cc4)C(=O)OC)C(=O)c4ccc1c2c34)[C@@H](Cc1ccc(O)cc1)C(=O)OC
• Title of publication: Hierarchical self-assembly of naphthalene bisimides to fluorescent microspheres and fluoride sensing
• Authors of publication: Jana, Poulami; Maity, Suman Kumar; Bera, Santu; Ghorai, Pradip Kumar; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2512
• a: 9.2965 ± 0.0012 Å
• b: 8.9901 ± 0.0012 Å
• c: 16.812 ± 0.002 Å
• α: 90°
• β: 96.943 ± 0.01°
• γ: 90°
• Cell volume: 1394.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No