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Information card for entry 4072324
Preview
Coordinates | 4072324.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 Fe |
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Calculated formula | C17 H18 Fe |
SMILES | [Fe]123456789[c]%10(CC(=CC[c]%115[cH]6[cH]7[cH]8[cH]9%11)C(=C)C)[cH]1[cH]2[cH]3[cH]4%10 |
Title of publication | Preparation of [4]- and [5]Ferrocenophanes by Ruthenium-Catalyzed Ring-Closing Ene−Yne Metathesis |
Authors of publication | Ogasawara, Masamichi; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 24 |
Pages of publication | 6565 |
a | 5.8485 ± 0.0002 Å |
b | 17.0481 ± 0.0005 Å |
c | 12.987 ± 0.0004 Å |
α | 90° |
β | 92.072 ± 0.001° |
γ | 90° |
Cell volume | 1294.03 ± 0.07 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0541 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0825 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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