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Information card for entry 4026522
Preview
Coordinates | 4026522.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H45 Cl |
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Calculated formula | C27 H45 Cl |
SMILES | Cl[C@@H]1CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@@]1([C@H](CC[C@@H]31)[C@@H](CCCC(C)C)C)C |
Title of publication | Catalytic Phosphorus(V)-Mediated Nucleophilic Substitution Reactions: Development of a Catalytic Appel Reaction |
Authors of publication | Ross M. Denton; Jie An; Beatrice Adeniran; Alexander J. Blake; William Lewis; Andrew M. Poulton |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 6749 - 6767 |
a | 9.7919 ± 0.0002 Å |
b | 7.53219 ± 0.00015 Å |
c | 16.9507 ± 0.0004 Å |
α | 90° |
β | 100.148 ± 0.002° |
γ | 90° |
Cell volume | 1230.63 ± 0.05 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0708 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.179 |
Weighted residual factors for all reflections included in the refinement | 0.185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 1.54184 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/4026522.html
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