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Information card for entry 4069614
Preview
Coordinates | 4069614.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H31 B Cl Fe N O Sn |
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Calculated formula | C23 H31 B Cl Fe N O Sn |
SMILES | [B@@]12([NH](C)[C@@H](C)[C@@H]([O]1[Sn]([c]13[cH]4[Fe]56789%101([c]23[cH]5[cH]46)[cH]1[cH]7[cH]8[cH]9[cH]%101)(Cl)(C)C)c1ccccc1)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 | 9.3756 ± 0.0003 Å |
b | 12.9176 ± 0.0004 Å |
c | 9.6967 ± 0.0003 Å |
α | 90° |
β | 96.159 ± 0.001° |
γ | 90° |
Cell volume | 1167.59 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0233 |
Residual factor for significantly intense reflections | 0.0232 |
Weighted residual factors for significantly intense reflections | 0.0553 |
Weighted residual factors for all reflections included in the refinement | 0.0554 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4069614.html
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Users of the data should acknowledge the original authors of the
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