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Information card for entry 4063396
Preview
Coordinates | 4063396.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1'-carboxylic acid methylester-1'''-(tert-butoxycarbonylamino) biferrocene |
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Chemical name | 1'-carboxylic acid methylester-1'''-(tert-butoxycarbonylamino) biferrocene |
Formula | C27 H29 Fe2 N O4 |
Calculated formula | C27 H29 Fe2 N O4 |
SMILES | [Fe]12345678([cH]9[cH]1[cH]8[cH]6[c]39[c]13[cH]6[Fe]89%10%11%12%131([cH]1[cH]%11[cH]9[c]%10([cH]81)C(=O)OC)[cH]([cH]3%13)[cH]6%12)[cH]1[cH]4[cH]7[cH]2[c]51NC(=O)OC(C)(C)C |
Title of publication | Biferrocene Amino Acid, a Ferrocenylogoue of Ferrocene Amino Acid: Synthesis, Cross-Linking, and Redox Chemistry |
Authors of publication | Siebler, Daniel; Förster, Christoph; Gasi, Teuta; Heinze, Katja |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 2 |
Pages of publication | 313 - 327 |
a | 7.4681 ± 0.0006 Å |
b | 26.957 ± 0.002 Å |
c | 12.0817 ± 0.0009 Å |
α | 90° |
β | 105.512 ± 0.005° |
γ | 90° |
Cell volume | 2343.7 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1076 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0636 |
Weighted residual factors for all reflections included in the refinement | 0.0753 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.802 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063396.html
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