Information card for entry 7229786

Structure parameters

• Formula: C28 H19 N O2
• Calculated formula: C28 H19 N O2
• SMILES: O=C1C(=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)C(=O)c2c1cccc2
• Title of publication: Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching
• Authors of publication: Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 643
• a: 6.868 ± 0.002 Å
• b: 8.175 ± 0.002 Å
• c: 18.128 ± 0.004 Å
• α: 81.203 ± 0.01°
• β: 86.414 ± 0.007°
• γ: 86.137 ± 0.01°
• Cell volume: 1002.1 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No