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Information card for entry 7016027
Preview
Coordinates | 7016027.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H21 Fe N |
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Calculated formula | C17 H21 Fe N |
SMILES | [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)C(C)CC1[c]25[cH]6[cH]7[cH]8[c]92CCCN1 |
Title of publication | Unusual carbamate-directed CH-activation at an annulated ferrocenophane framework. |
Authors of publication | Voss, Tanja; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 26 |
Pages of publication | 6984 - 6991 |
a | 8.1066 ± 0.0002 Å |
b | 10.4457 ± 0.0002 Å |
c | 15.9844 ± 0.0005 Å |
α | 90° |
β | 99.924 ± 0.001° |
γ | 90° |
Cell volume | 1333.29 ± 0.06 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
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 | 0.058 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0698 |
Weighted residual factors for all reflections included in the refinement | 0.0765 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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