Information card for entry 1576944

Structure parameters

• Formula: C37 H32 F3 N3 O12
• Calculated formula: C37 H32 F3 N3 O12
• Title of publication: Single-position ligand modifications tune CB2R activity by targeting the toggle switch
• Authors of publication: Ganzoni, Rudolf L. Z.; Kosar, Miroslav; Han, Yongqi; Vitale, Rosa Maria; Amodeo, Pietro; Li, Xiaoting; Zha, Zhonghua; Patej, Kacper J.; Kicin, Bilal; Strunden, Taddäus E. N.; Reichert, Lisa; Gómez-Bouzó, Uxía; Perera, Themiya P.; Atz, Kenneth; Guba, Wolfgang; Bartelmus, Christian; Bigler, Raphael; Tosatti, Paolo; Bachmann, Stephan; Hua, Tian; Sykes, David A.; Veprintsev, Dmitry B.; Grether, Uwe; Carreira, Erick M.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 7.0138 ± 0.0001 Å
• b: 14.1045 ± 0.0001 Å
• c: 19.1791 ± 0.0002 Å
• α: 109.917 ± 0.001°
• β: 99.218 ± 0.001°
• γ: 92.235 ± 0.001°
• Cell volume: 1751.82 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No