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Information card for entry 8107049
Preview
| Coordinates | 8107049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H45 B N2 O |
|---|---|
| Calculated formula | C40 H45 B N2 O |
| Title of publication | Crystal structure of N-(2-(2-oxoindolin-4-yl)ethyl)-N-propylpropan-1-aminium tetraphenylborate, C40H45BN2O |
| Authors of publication | Ghabbour, Hazem A.; Al-Majed, Abdulrahman; Alruqi, Obaid S.; Mostafa, Gamal A. E. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 921 - 923 |
| a | 14.4148 ± 0.0006 Å |
| b | 16.7684 ± 0.0007 Å |
| c | 13.7178 ± 0.0005 Å |
| α | 90° |
| β | 102.791 ± 0.001° |
| γ | 90° |
| Cell volume | 3233.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0649 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282458 (current) | 2023-04-06 | cif/ Adding structures of 8107049 via cif-deposit CGI script. |
8107049.cif |
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Users of the data should acknowledge the original authors of the
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