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Information card for entry 4026523
Preview
Coordinates | 4026523.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H58 Cl3 N O3 P2 |
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Calculated formula | C48 H58 Cl3 N O3 P2 |
SMILES | [P+](OCC(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](OCC(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].CC#N.[OH3+] |
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 | 20.8394 ± 0.0011 Å |
b | 9.278 ± 0.0005 Å |
c | 24.4594 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4729.2 ± 0.4 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0497 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections included in the refinement | 0.0949 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/4026523.html
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