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Information card for entry 4065278
Preview
Coordinates | 4065278.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H27 Fe O2 P |
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Calculated formula | C20 H27 Fe O2 P |
SMILES | [c]12([c]3([c]4([Fe]5678923([c]2([c]5([c]6([c]9([c]82C)C)C)C)C)[p]1[c]47C(=O)C)C)C)C(=O)C |
Title of publication | Homoannular Double Friedel‒Crafts Acylation of Phosphametallocenes |
Authors of publication | Ogasawara, Masamichi; Ogura, Morihiko; Sakamoto, Takeshi; Watanabe, Susumu; Arae, Sachie; Nakajima, Kiyohiko; Takahashi, Tamotsu |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 18 |
Pages of publication | 5045 |
a | 11.889 ± 0.0005 Å |
b | 16.1841 ± 0.0007 Å |
c | 9.9571 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1915.87 ± 0.14 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1106 |
Residual factor for significantly intense reflections | 0.0674 |
Weighted residual factors for significantly intense reflections | 0.1298 |
Weighted residual factors for all reflections included in the refinement | 0.1469 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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