Information card for entry 7244896

Structure parameters

• Formula: C11 H8 Br N O3
• Calculated formula: C11 H8 Br N O3
• Title of publication: Identification of ligand linkage vectors for the development of p300/CBP degraders
• Authors of publication: Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Mihara, Koichiro; Maity, Ranjan; Papatzimas, James W.; Gelfand, Benjamin S.; Hollenberg, Morley D.; Bahlis, Nizar J.; Derksen, Darren J.
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2022
• a: 8.1072 ± 0.0002 Å
• b: 8.181 ± 0.0002 Å
• c: 32.6881 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2168.04 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No