Information card for entry 7229309

Structure parameters

• Chemical name: 4-(diphenylamino)-2-butyloxybenzaldehyde
• Formula: C23 H23 N O2
• Calculated formula: C23 H23 N O2
• SMILES: O=Cc1c(OCCCC)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: 9.419 ± 0.0019 Å
• b: 10.485 ± 0.002 Å
• c: 19.426 ± 0.004 Å
• α: 90°
• β: 91.6 ± 0.03°
• γ: 90°
• Cell volume: 1917.7 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No