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Information card for entry 1502251
Preview
Coordinates | 1502251.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H52 B F4 O10 P2 Rh |
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Calculated formula | C54 H52 B F4 O10 P2 Rh |
SMILES | [Rh]1234([P](c5c(c6c(OC)cccc6[P]1(c1ccc(C(=O)OC)cc1)c1ccc(cc1)C(=O)OC)c(OC)ccc5)(c1ccc(C(=O)OC)cc1)c1ccc(C(=O)OC)cc1)[CH]1CC[CH]4=[CH]3CC[CH]2=1.[B](F)(F)(F)[F-] |
Title of publication | Efficient route to atropisomeric ligands‒application to the synthesis of MeOBIPHEP analogues. |
Authors of publication | Leseurre, Lucie; d'Herouville, Florent Le Boucher; Püntener, Kurt; Scalone, Michelangelo; Genêt, Jean-Pierre; Michelet, Véronique |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 12 |
Pages of publication | 3250 - 3253 |
a | 10.3475 ± 0.0007 Å |
b | 26.926 ± 0.0015 Å |
c | 11.5981 ± 0.0006 Å |
α | 90° |
β | 107.361 ± 0.006° |
γ | 90° |
Cell volume | 3084.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0761 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1757 |
Weighted residual factors for all reflections included in the refinement | 0.1831 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.7107 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/1502251.html
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