Information card for entry 7249231

Structure parameters

• Formula: C23 H15 N3 O
• Calculated formula: C23 H15 N3 O
• Title of publication: Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptor and intermolecular interactions
• Authors of publication: Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 7.754 ± 0.0016 Å
• b: 9.506 ± 0.0019 Å
• c: 24.648 ± 0.005 Å
• α: 90°
• β: 96.48 ± 0.03°
• γ: 90°
• Cell volume: 1805.2 ± 0.6 ų
• Cell temperature: 221 ± 2 K
• Ambient diffraction temperature: 221 ± 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: 0.0916
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No