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Information card for entry 4082955
Preview
Coordinates | 4082955.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H21 Fe O P |
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Calculated formula | C23 H21 Fe O P |
SMILES | [c]12([c]3([cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)OC)P(c1ccccc1)c1ccccc1 |
Title of publication | Anionic Phospho-Fries Rearrangement at Ferrocene: One-Pot Approach to P,O-Substituted Ferrocenes |
Authors of publication | Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 8 |
Pages of publication | 2099 |
a | 8.1036 ± 0.0002 Å |
b | 19.4551 ± 0.0004 Å |
c | 12.1025 ± 0.0003 Å |
α | 90° |
β | 100.958 ± 0.002° |
γ | 90° |
Cell volume | 1873.25 ± 0.08 Å3 |
Cell temperature | 107.1 ± 0.2 K |
Ambient diffraction temperature | 107.1 ± 0.2 K |
Number of distinct elements | 5 |
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 | 0.0346 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Weighted residual factors for all reflections included in the refinement | 0.0663 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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