Information card for entry 2311167

Structure parameters

• Chemical name: 5-Fluoro-<i>N</i>-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1<i>H</i>-indole-2-carboxamide
• Formula: C24 H24 F N3 O2 S
• Calculated formula: C24 H24 F N3 O2 S
• SMILES: S1[C@H](C(=O)N(NC(=O)c2[nH]c3ccc(F)cc3c2c2ccccc2)C21CCCCC2)C
• Title of publication: 5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide.
• Authors of publication: Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 8
• Pages of publication: o1229
• a: 13.2082 ± 0.0018 Å
• b: 13.2082 ± 0.0018 Å
• c: 23.584 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3563.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No