Information card for entry 1553695

Structure parameters

• Formula: C38 H29 N O2
• Calculated formula: C38 H29 N O2
• SMILES: O=C1N(C(=O)c2c3c(c(c4ccc(cc4)C=C4c5c(c6c4cccc6)cccc5)cc2)cccc13)C1CCCCC1
• 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: 11.2762 ± 0.0006 Å
• b: 13.9376 ± 0.0008 Å
• c: 17.8045 ± 0.0011 Å
• α: 90°
• β: 101.143 ± 0.004°
• γ: 90°
• Cell volume: 2745.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1213
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No