Information card for entry 7244575

Structure parameters

• Formula: C22 H14 N2
• Calculated formula: C22 H14 N2
• SMILES: N#CC(=C\c1c2ccccc2cc2ccccc12)/c1ncccc1
• Title of publication: Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence
• Authors of publication: Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 16.071 ± 0.003 Å
• b: 8.368 ± 0.0017 Å
• c: 23.949 ± 0.005 Å
• α: 90°
• β: 102.49 ± 0.03°
• γ: 90°
• Cell volume: 3144.5 ± 1.1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No