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Information card for entry 7044645
Preview
| Coordinates | 7044645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 N4 |
|---|---|
| Calculated formula | C23 H26 N4 |
| Title of publication | Formation of spiro compound via coupling of cyclopentadienyl ligand with diene moiety of titanacyclopentadiene |
| Authors of publication | Bando, Masayoshi; Mizukami, Yuki; Nakajima, Kiyohiko; Song, Zhiying; Takahashi, Tamotsu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 10.439 ± 0.003 Å |
| b | 12.582 ± 0.004 Å |
| c | 15.443 ± 0.006 Å |
| α | 90° |
| β | 92.263 ± 0.014° |
| γ | 90° |
| Cell volume | 2026.8 ± 1.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| 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 | 0.0533 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202588 (current) | 2017-11-04 | cif/ Adding structures of 7044645 via cif-deposit CGI script. |
7044645.cif |
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