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Information card for entry 1520460
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Coordinates | 1520460.cif |
---|
Formula | C16 H13 N O |
---|---|
Calculated formula | C16 H13 N O |
SMILES | C1(=O)/C(=C/c2ccc(cc2)C)c2ccccc2N1 |
Title of publication | Methyl oxindole |
Authors of publication | Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2010 |
Pages of publication | 1324 |
a | 8.1168 ± 0.0004 Å |
b | 9.2556 ± 0.0004 Å |
c | 9.3927 ± 0.0003 Å |
α | 62.29 ± 0.002° |
β | 80.933 ± 0.003° |
γ | 72.18 ± 0.002° |
Cell volume | 594.64 ± 0.05 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0924 |
Residual factor for significantly intense reflections | 0.0647 |
Weighted residual factors for significantly intense reflections | 0.124 |
Weighted residual factors for all reflections included in the refinement | 0.1419 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1520460.html
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Users of the data should acknowledge the original authors of the
structural data.