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Information card for entry 8106588
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| Coordinates | 8106588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,2,3,4,5-pentamethyl-1,3-cyclopentadiene |
|---|---|
| Formula | C10 H16 |
| Calculated formula | C10 H16 |
| Title of publication | Crystal structure of 1,2,3,4,5-pentamethyl-1,3-cyclopentadiene, C10H16 |
| Authors of publication | Benda, Christian; Klein, Wilhelm; Fässler, Thomas F. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 511 - 512 |
| a | 4.4804 ± 0.0006 Å |
| b | 11.7784 ± 0.0012 Å |
| c | 16.7613 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 884.53 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1162 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0523 |
| Weighted residual factors for all reflections included in the refinement | 0.0596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.674 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280595 (current) | 2023-01-25 | cif/ Adding structures of 8106588 via cif-deposit CGI script. |
8106588.cif |
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Users of the data should acknowledge the original authors of the
structural data.