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Information card for entry 2009072
Preview
| Coordinates | 2009072.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N-[3-(3-Indenyl)propyl]-benzylammonium bromide |
|---|---|
| Formula | C19 H22 Br N |
| Calculated formula | C19 H22 Br N |
| SMILES | [Br-].[NH2+](CCCC1=CCc2c1cccc2)Cc1ccccc1 |
| Title of publication | Benzyl[3-(3-indenyl)propyl]ammonium bromide |
| Authors of publication | Groux, Laurent F.; Bélanger-Gariépy, Francine; Zargarian, Davit |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | IUC9900130 |
| a | 15.001 ± 0.009 Å |
| b | 7.385 ± 0.003 Å |
| c | 15.078 ± 0.013 Å |
| α | 90° |
| β | 95.45 ± 0.06° |
| γ | 90° |
| Cell volume | 1662.8 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections | 0.94 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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