Information card for entry 7109620

Structure parameters

• Formula: C25 H25 N O3 S2
• Calculated formula: C25 H25 N O3 S2
• SMILES: S(C(SCC)c1ccc(Oc2c3c4c(C(=O)N(CC)C(=O)c4ccc3)cc2)cc1)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: 8.6529 ± 0.0007 Å
• b: 8.6955 ± 0.0007 Å
• c: 15.3316 ± 0.0012 Å
• α: 87.905 ± 0.002°
• β: 76.192 ± 0.002°
• γ: 87.453 ± 0.002°
• Cell volume: 1118.73 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1508
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No