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Information card for entry 4069613
Preview
Coordinates | 4069613.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H20 B Cl Fe O Sn |
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Calculated formula | C14 H20 B Cl Fe O Sn |
SMILES | B([c]12[c]3([Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61)[Sn](Cl)(C)C)(OC)C |
Title of publication | Resolution of Planar-Chiral Ferrocenylborane Lewis Acids: The Impact of Steric Effects on the Stereoselective Binding of Ephedrine Derivatives |
Authors of publication | Boshra, Ramez; Venkatasubbaiah, Krishnan; Doshi, Ami; Jäkle, Frieder |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 14 |
Pages of publication | 4141 |
a | 6.9133 ± 0.0003 Å |
b | 7.5935 ± 0.0004 Å |
c | 15.3049 ± 0.0006 Å |
α | 87.068 ± 0.002° |
β | 84.163 ± 0.002° |
γ | 79.022 ± 0.003° |
Cell volume | 784.24 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0256 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0644 |
Weighted residual factors for all reflections included in the refinement | 0.0649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4069613.html
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Users of the data should acknowledge the original authors of the
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