Information card for entry 7229784

Structure parameters

• Formula: C29 H21 N O3
• Calculated formula: C29 H21 N O3
• SMILES: O=C1C(=Cc2ccc(N(c3ccc(OC)cc3)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: 17.341 ± 0.002 Å
• b: 9.321 ± 0.002 Å
• c: 14.471 ± 0.002 Å
• α: 90°
• β: 111.962 ± 0.004°
• γ: 90°
• Cell volume: 2169.3 ± 0.6 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No