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Information card for entry 4067561
Preview
Coordinates | 4067561.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H35 B Cl2 F3 N7 O5 P2 S W |
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Calculated formula | C23 H35 B Cl2 F3 N7 O5 P2 S W |
SMILES | [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1C([P+](C)(C)C)CCC(=O)[CH]3=1.ClCCl.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Epoxidation, Cyclopropanation, and Electrophilic Addition Reactions at themetaPosition of Phenol andmeta-Cresol§ |
Authors of publication | Zottig, Victor E.; Todd, Michael A.; Nichols-Nielander, Adam C.; Harrison, Daniel P.; Sabat, Michal; Myers, William H.; Harman, W. Dean |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 4793 |
a | 7.978 ± 0.0001 Å |
b | 36.776 ± 0.001 Å |
c | 11.876 ± 0.001 Å |
α | 90° |
β | 100.51 ± 0.001° |
γ | 90° |
Cell volume | 3425.9 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 10 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0834 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0826 |
Weighted residual factors for all reflections included in the refinement | 0.0955 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71074 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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