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Information card for entry 8104915
Preview
| Coordinates | 8104915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Br N O |
|---|---|
| Calculated formula | C18 H20 Br N O |
| SMILES | [Br-].C1COCC[N@+]1(C)[C@@H]1c2c(c3c1cccc3)cccc2 |
| Title of publication | 4-(9H-Fluoren-9-yl)-4-methylmorpholin-4-ium bromide, C18H20BrNO |
| Authors of publication | Kailani, Mohammed H.; Awwadi, Firas F. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 179 - 180 |
| a | 8.4285 ± 0.0004 Å |
| b | 19.2055 ± 0.0009 Å |
| c | 19.7809 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3202 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274069 (current) | 2022-03-29 | cif/ Adding structures of 8104915 via cif-deposit CGI script. |
8104915.cif |
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Users of the data should acknowledge the original authors of the
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