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Information card for entry 1502453
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Coordinates | 1502453.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (S)-(-)-1-(4-Bromobenzylidene)-2-isopropenyl-1,2- dihydronaphtho[2,1-b]furan [(S)-(-)-3k] |
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Formula | C22 H17 Br O |
Calculated formula | C22 H17 Br O |
SMILES | Brc1ccc(/C=C2\[C@@H](Oc3c2c2ccccc2cc3)C(=C)C)cc1 |
Title of publication | Rhodium-catalyzed olefin isomerization/enantioselective intramolecular Alder-ene reaction cascade. |
Authors of publication | Okamoto, Ryuichi; Okazaki, Eri; Noguchi, Keiichi; Tanaka, Ken |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 18 |
Pages of publication | 4894 - 4897 |
a | 5.6443 ± 0.0001 Å |
b | 8.8426 ± 0.0002 Å |
c | 33.8277 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1688.35 ± 0.06 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0202 |
Residual factor for significantly intense reflections | 0.0198 |
Weighted residual factors for significantly intense reflections | 0.0506 |
Weighted residual factors for all reflections included in the refinement | 0.0509 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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