Information card for entry 1566736

Structure parameters

• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• Title of publication: Structure-Based Design of High-Affinity Fluorescent Probes for the Neuropeptide Y Y₁ Receptor.
• Authors of publication: Müller, Christoph; Gleixner, Jakob; Tahk, Maris-Johanna; Kopanchuk, Sergei; Laasfeld, Tõnis; Weinhart, Michael; Schollmeyer, Dieter; Betschart, Martin U.; Lüdeke, Steffen; Koch, Pierre; Rinken, Ago; Keller, Max
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2022
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 4832 - 4853
• a: 5.5437 ± 0.0002 Å
• b: 8.4551 ± 0.0003 Å
• c: 52.42 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2457.06 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No