Information card for entry 7124054

Structure parameters

• Chemical name: JK-494
• Formula: C19 H23 N3 O
• Calculated formula: C19 H23 N3 O
• Title of publication: BIM-46174 fragments as potential ligands of G proteins
• Authors of publication: Küppers, Jim; Benkel, Tobias; Annala, Suvi; Schnakenburg, Gregor; Kostenis, Evi; Gütschow, Michael
• Journal of publication: MedChemComm
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1838
• a: 6.1589 ± 0.0002 Å
• b: 10.7744 ± 0.0003 Å
• c: 13.0636 ± 0.0004 Å
• α: 104.09 ± 0.001°
• β: 93.658 ± 0.001°
• γ: 95.647 ± 0.001°
• Cell volume: 833.25 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No