Information card for entry 7251844

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: 10.814 ± 0.0001 Å
• b: 13.7985 ± 0.0002 Å
• c: 23.5044 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3507.26 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No