Information card for entry 7229313

Structure parameters

• Chemical name: 4-(diphenylamino)-2-ethoxybenzaldehyde
• Formula: C21 H19 N O2
• Calculated formula: C21 H19 N O2
• SMILES: O=Cc1c(OCC)cc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid
• Authors of publication: Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 7.737 ± 0.0015 Å
• b: 15.936 ± 0.003 Å
• c: 14.484 ± 0.003 Å
• α: 90°
• β: 103.11 ± 0.03°
• γ: 90°
• Cell volume: 1739.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No