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Information card for entry 4116526
Preview
| Coordinates | 4116526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 O |
|---|---|
| Calculated formula | C19 H18 O |
| Title of publication | Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction |
| Authors of publication | Kazumasa Honda; Fusae Nakanishi; Neil Feeder |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 8246 - 8250 |
| a | 31.333 ± 0.002 Å |
| b | 10.7715 ± 0.0007 Å |
| c | 8.677 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2928.5 ± 0.7 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273 K |
| Number of distinct elements | 3 |
| 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 | 0.1434 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.406 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.