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Information card for entry 2311661
Preview
Coordinates | 2311661.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H22 N2 O2 |
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Calculated formula | C23 H22 N2 O2 |
SMILES | c1(cc(c(C)cc1)/N=C/c1c(O)ccc(c1)C)/N=C/c1c(O)ccc(C)c1 |
Title of publication | The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine. |
Authors of publication | Kaczmarek, Małgorzata T; Kubicki, Maciej |
Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | Pt 5 |
Pages of publication | 792 - 800 |
a | 21.694 ± 0.003 Å |
b | 12.599 ± 0.002 Å |
c | 21.236 ± 0.003 Å |
α | 90° |
β | 93.38 ± 0.02° |
γ | 90° |
Cell volume | 5794.2 ± 1.5 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1434 |
Residual factor for significantly intense reflections | 0.0778 |
Weighted residual factors for significantly intense reflections | 0.1887 |
Weighted residual factors for all reflections included in the refinement | 0.2195 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/2311661.html
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