Information card for entry 7229787

Structure parameters

• Formula: C26 H23 N3 O4
• Calculated formula: C26 H23 N3 O4
• SMILES: O(c1ccc(N(c2ccccc2)c2ccc(cc2)C=C2C(=O)N(C(=O)N(C2=O)C)C)cc1)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: 38.228 ± 0.008 Å
• b: 7.21 ± 0.0014 Å
• c: 16.916 ± 0.003 Å
• α: 90°
• β: 110.72 ± 0.03°
• γ: 90°
• Cell volume: 4360.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0967
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No