Information card for entry 1553694

Structure parameters

• Formula: C38 H27 Br2 N O2
• Calculated formula: C38 H27 Br2 N O2
• SMILES: Brc1cc2C(=Cc3ccc(c4c5cccc6C(=O)N(C(=O)c(cc4)c56)C4CCCCC4)cc3)c3c(c2cc1)ccc(Br)c3
• Title of publication: Bridge-driven aggregation control in dibenzofulvene–naphthalimide based donor–bridge–acceptor systems: enabling fluorescence enhancement, blue to red emission and solvatochromism
• Authors of publication: Gopikrishna, Peddaboodi; Raman Adil, Laxmi; Iyer, Parameswar Krishnan
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 12
• Pages of publication: 2590
• a: 19.61 ± 0.002 Å
• b: 15.469 ± 0.002 Å
• c: 20.516 ± 0.002 Å
• α: 90°
• β: 107.135 ± 0.011°
• γ: 90°
• Cell volume: 5947.2 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1421
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No