Information card for entry 7231672

Structure parameters

• Formula: C39 H27 N3
• Calculated formula: C39 H27 N3
• Title of publication: Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.
• Authors of publication: Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 43
• Pages of publication: 27385 - 27393
• a: 17.587 ± 0.004 Å
• b: 7.74 ± 0.0015 Å
• c: 21.032 ± 0.004 Å
• α: 90°
• β: 105.94 ± 0.03°
• γ: 90°
• Cell volume: 2752.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0892
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No