Information card for entry 7231669

Structure parameters

• Formula: C40 H33 N3 O
• Calculated formula: C40 H33 N3 O
• 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: 10.602 ± 0.002 Å
• b: 16.393 ± 0.003 Å
• c: 18.032 ± 0.004 Å
• α: 90°
• β: 102.46 ± 0.03°
• γ: 90°
• Cell volume: 3060.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0901
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No