Information card for entry 7229785

Structure parameters

• Formula: C26 H23 N3 O4
• Calculated formula: C26 H23 N3 O4
• SMILES: O(c1cc(N(c2ccccc2)c2ccccc2)ccc1C=C1C(=O)N(C(=O)N(C1=O)C)C)C
• 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: 9.728 ± 0.0019 Å
• b: 9.748 ± 0.0019 Å
• c: 12.153 ± 0.002 Å
• α: 103.57 ± 0.03°
• β: 98.82 ± 0.03°
• γ: 99.79 ± 0.03°
• Cell volume: 1081.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No