Information card for entry 7250175

Structure parameters

• Chemical name: 2-(2-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-5-(diphenylamino)phenoxy)benzonitrile
• Formula: C32 H24 N4 O4
• Calculated formula: C32 H24 N4 O4
• Title of publication: Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism
• Authors of publication: Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 2759 - 2766
• a: 7.684 ± 0.0015 Å
• b: 8.609 ± 0.0017 Å
• c: 19.253 ± 0.004 Å
• α: 87.9 ± 0.03°
• β: 89.11 ± 0.03°
• γ: 78.07 ± 0.03°
• Cell volume: 1245.2 ± 0.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.1113
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.31
• Weighted residual factors for all reflections included in the refinement: 0.3147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No