Information card for entry 4109382

Structure parameters

• Formula: C26 H27 N O4 S2
• Calculated formula: C26 H27 N O4 S2
• SMILES: S(=O)(=O)(N1[C@@H](C[C@@H](Sc2ccccc2)[C@@H](C1)C(=O)O)c1ccc(C)cc1)c1ccc(C)cc1.S(=O)(=O)(N1[C@H](C[C@H](Sc2ccccc2)[C@H](C1)C(=O)O)c1ccc(C)cc1)c1ccc(C)cc1
• Title of publication: Small-Molecule Inhibitors of Protein Geranylgeranyltransferase Type I
• Authors of publication: Sabrina Castellano; Hannah D. G. Fiji; Sape S. Kinderman; Masaru Watanabe; Pablo de Leon; Fuyuhiko Tamanoi; Ohyun Kwon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5843 - 5845
• a: 10.5254 ± 0.0012 Å
• b: 11.5269 ± 0.0013 Å
• c: 20.031 ± 0.002 Å
• α: 90°
• β: 98.234 ± 0.002°
• γ: 90°
• Cell volume: 2405.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No