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Information card for entry 3500017
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| Coordinates | 3500017.cif |
|---|
| Common name | Unknown |
|---|---|
| Chemical name | 4-(2-(9H-fluoren-9-ylideneamino)phenyl)-2-hydroxy-2,5-diphenylfuran-3(2H)-one |
| Formula | C35 H23 N O3 |
| Calculated formula | C35 H23 N O3 |
| SMILES | O=C1C(=C(OC1(O)c1ccccc1)c1ccccc1)c1ccccc1N=C1c2c(c3c1cccc3)cccc2 |
| Title of publication | unknown |
| Authors of publication | John P Rappai |
| Journal of publication | Personal communication to COD |
| Year of publication | 2014 |
| a | 10.99 ± 0.002 Å |
| b | 11.41 ± 0.003 Å |
| c | 13.062 ± 0.003 Å |
| α | 109.668 ± 0.004° |
| β | 106.72 ± 0.004° |
| γ | 104.309 ± 0.004° |
| Cell volume | 1365.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0802 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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