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Information card for entry 7115965
Preview
Coordinates | 7115965.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H18 Br Fe N |
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Calculated formula | C20 H18 Br Fe N |
SMILES | Brc1c2c(ccc1)[nH]cc2[C@@H]([c]12[cH]3[Fe]4567891([cH]([cH]34)[cH]27)[cH]1[cH]6[cH]5[cH]9[cH]81)C |
Title of publication | Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage |
Authors of publication | Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 14531 |
a | 6.0455 ± 0.0005 Å |
b | 9.354 ± 0.0008 Å |
c | 29.031 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1641.7 ± 0.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Weighted residual factors for all reflections included in the refinement | 0.0801 |
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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The link is: https://www.crystallography.net/7115965.html
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