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Information card for entry 7016026
Preview
Coordinates | 7016026.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H29 Fe N O2 |
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Calculated formula | C22 H29 Fe N O2 |
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]92CCCN1C(=O)OC(C)(C)C |
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 | 9.7521 ± 0.0002 Å |
b | 9.9436 ± 0.0002 Å |
c | 10.8684 ± 0.0003 Å |
α | 111.07 ± 0.001° |
β | 99.023 ± 0.001° |
γ | 94.053 ± 0.001° |
Cell volume | 962.01 ± 0.04 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0565 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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