Information card for entry 7251845

Structure parameters

• Formula: C19 H20 O7
• Calculated formula: C19 H20 O7
• Title of publication: Synthesis and preliminary assessment of fluorescent probes based on the competitive GPCR antagonists vismodegib and masupirdine
• Authors of publication: Alexander, Carlson; Cheung, Tsz-Lam; Kumar, Chowan Ashok; Hor, Catherine H. H.; Li, Huishan; Zou, Xiuzhi; Parker, David
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 17745 - 17752
• a: 8.8162 ± 0.0001 Å
• b: 10.3256 ± 0.0002 Å
• c: 19.0296 ± 0.0003 Å
• α: 90°
• β: 94.8911 ± 0.0006°
• γ: 90°
• Cell volume: 1726 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No