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Information card for entry 4088460
Preview
| Coordinates | 4088460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H24 N4 |
|---|---|
| Calculated formula | C23 H24 N4 |
| SMILES | N#CC1([C@]23[C@]4([C@](C=CC4)([C@H](C=C3CC)C1(C#N)C#N)CC)CCCC2)C#N |
| Title of publication | Separation of Five Linearly Aligned Carbons into Two-Carbon and Three-Carbon Groups on Titanium |
| Authors of publication | Song, Zhiyi; Hsieh, Yi-Fang; Nakajima, Kiyohiko; Kanno, Ken-ichiro; Takahashi, Tamotsu |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 8 |
| Pages of publication | 1092 |
| a | 9.7053 ± 0.0003 Å |
| b | 12.6208 ± 0.0003 Å |
| c | 15.5751 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1907.77 ± 0.1 Å3 |
| Cell temperature | 298.1 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for all reflections included in the refinement | 0.0365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088460.cif |
| 237592 | 2019-11-24 | cif/ Adding structures of 4088460 via cif-deposit CGI script. |
4088460.cif |
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Users of the data should acknowledge the original authors of the
structural data.