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Information card for entry 7038969
Preview
Coordinates | 7038969.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H37 Cr O6 P5 |
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Calculated formula | C25 H37 Cr O6 P5 |
SMILES | [Cr]([P@@]12P3[C@]2(P2C(=P[C@@]3([C@]2([P@H]1=O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[Cr]([P@]12P3[C@@]2(P2C(=P[C@]3([C@@]2([P@@H]1=O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction. |
Authors of publication | Keller, I. C.; Bauer, W.; Heinemann, F. W.; Höhn, C; Rohwer, L.; Zenneck, U. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 17 |
Pages of publication | 7267 - 7277 |
a | 10.373 ± 0.0012 Å |
b | 11.494 ± 0.0009 Å |
c | 14.269 ± 0.0011 Å |
α | 95.832 ± 0.008° |
β | 92.762 ± 0.008° |
γ | 114.536 ± 0.006° |
Cell volume | 1531.9 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.044 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.0811 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7038969.html
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Users of the data should acknowledge the original authors of the
structural data.