Information card for entry 7250178

Structure parameters

• Chemical name: (E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylic acid
• Formula: C29 H19 N3 O3
• Calculated formula: C29 H19 N3 O3
• 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: 11.226 ± 0.002 Å
• b: 13.215 ± 0.003 Å
• c: 16.773 ± 0.003 Å
• α: 81.42 ± 0.03°
• β: 87.99 ± 0.03°
• γ: 69.34 ± 0.03°
• Cell volume: 2301.8 ± 0.9 ų
• Cell temperature: 221 ± 2 K
• Ambient diffraction temperature: 221 ± 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: 0.1026
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No