Information card for entry 1557632

Structure parameters

• Formula: C25 H27 N O7 S
• Calculated formula: C25 H27 N O7 S
• SMILES: s1c(N(=O)=O)ccc1C(Oc1c(OC)ccc(c1)/C=C\c1cc(OC)c(OC)c(OC)c1)(C)C
• Title of publication: Bioreductively Activatable Prodrug Conjugates of Combretastatin A-1 and Combretastatin A-4 as Anticancer Agents Targeted toward Tumor-Associated Hypoxia
• Authors of publication: Winn, Blake A.; Devkota, Laxman; Kuch, Bunnarack; MacDonough, Matthew T.; Strecker, Tracy E.; Wang, Yifan; Shi, Zhe; Gerberich, Jeni L.; Mondal, Deboprosad; Ramirez, Alejandro J.; Hamel, Ernest; Chaplin, David J.; Davis, Peter; Mason, Ralph P.; Trawick, Mary Lynn; Pinney, Kevin G.
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 8.0895 ± 0.0007 Å
• b: 12.0696 ± 0.001 Å
• c: 14.0112 ± 0.0012 Å
• α: 100.514 ± 0.005°
• β: 104.24 ± 0.005°
• γ: 108.18 ± 0.005°
• Cell volume: 1208.85 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No