Information card for entry 7109619

Structure parameters

• Formula: C20 H15 N O3
• Calculated formula: C20 H15 N O3
• SMILES: c12c3c(ccc2Oc2ccccc2)C(=O)N(C(=O)c3ccc1)CC
• Title of publication: Molecular flexibility tuned emission in 'V' shaped naphthalimides: Hg(II) detection and aggregation-induced emission enhancement (AIEE)
• Authors of publication: Sanjoy Mukherjee; Pakkirisamy Thilagar
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7292
• a: 13.893 ± 0.006 Å
• b: 10.823 ± 0.005 Å
• c: 10.819 ± 0.005 Å
• α: 90°
• β: 106.183 ± 0.006°
• γ: 90°
• Cell volume: 1562.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No