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Information card for entry 4082046
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Coordinates | 4082046.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H30 Fe |
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Calculated formula | C30 H30 Fe |
SMILES | [Fe]123456789[c]%10([c]%111[c]2([c]13[c]4%10cccc1)cccc%11)CC=CC[c]15[c]26[c]7([c]38[c]91cccc3)cccc2 |
Title of publication | Inter- versus Intraannular Ring-Closing Metathesis of Polyallylferrocenes: Five-Fold RCM within a Single Molecule |
Authors of publication | Ogasawara, Masamichi; Wu, Wei-Yi; Arae, Sachie; Nakajima, Kiyohiko; Takahashi, Tamotsu |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 21 |
Pages of publication | 6593 |
a | 11.789 ± 0.004 Å |
b | 13.797 ± 0.006 Å |
c | 15.242 ± 0.005 Å |
α | 108.086 ± 0.014° |
β | 108.487 ± 0.013° |
γ | 100.641 ± 0.016° |
Cell volume | 2122 ± 1.4 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1054 |
Residual factor for significantly intense reflections | 0.071 |
Weighted residual factors for significantly intense reflections | 0.2267 |
Weighted residual factors for all reflections included in the refinement | 0.2473 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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