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Information card for entry 1547574
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Coordinates | 1547574.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H21 Br |
---|---|
Calculated formula | C16 H21 Br |
SMILES | Br[C@H]1CC=C(C)[C@@H](Cc2ccccc2)C1(C)C.Br[C@@H]1CC=C(C)[C@H](Cc2ccccc2)C1(C)C |
Title of publication | Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids. |
Authors of publication | Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 18 |
Pages of publication | 4766 - 4769 |
a | 19.772 ± 0.002 Å |
b | 6.1368 ± 0.0007 Å |
c | 23.6786 ± 0.0019 Å |
α | 90° |
β | 94.152 ± 0.008° |
γ | 90° |
Cell volume | 2865.5 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.1255 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.0923 |
Weighted residual factors for all reflections included in the refinement | 0.1114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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