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Information card for entry 7038967
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Coordinates | 7038967.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H37 P5 S |
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Calculated formula | C20 H37 P5 S |
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 | 10.2318 ± 0.0015 Å |
b | 21.181 ± 0.003 Å |
c | 22.531 ± 0.003 Å |
α | 90° |
β | 102.198 ± 0.003° |
γ | 90° |
Cell volume | 4772.7 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0625 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1244 |
Weighted residual factors for all reflections included in the refinement | 0.1334 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7038967.html
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structural data.