Information card for entry 4126349

Structure parameters

• Formula: C26 H23 N O2
• Calculated formula: C26 H23 N O2
• SMILES: O1C2C(=C(c3c1c1c4N(CCCc4c3)CCC1)c1c(cccc1)C)C=CC(=O)C=2
• Title of publication: A Photoactivatable Probe for Super-Resolution Imaging of Enzymatic Activity in Live Cells.
• Authors of publication: Halabi, Elias A.; Thiel, Zacharias; Trapp, Nils; Pinotsi, Dorothea; Rivera-Fuentes, Pablo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 12.0514 ± 0.0001 Å
• b: 7.8496 ± 0.0001 Å
• c: 20.9052 ± 0.0002 Å
• α: 90°
• β: 104.875 ± 0.001°
• γ: 90°
• Cell volume: 1911.33 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0522
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No