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Information card for entry 2311167
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Coordinates | 2311167.cif |
---|---|
Original IUCr paper | HTML |
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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2311167.html
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Users of the data should acknowledge the original authors of the
structural data.