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Information card for entry 4030134
Preview
Coordinates | 4030134.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H39 Br |
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Calculated formula | C35 H39 Br |
SMILES | Brc1c2ccc3cc(c4ccc5C(=CCC(c5c4c3c2cc(c1)C(C)(C)C)C(C)(C)C)C)C(C)(C)C |
Title of publication | Discovery of Deep-Seated Skeletal Rearrangements in the Photocyclizations of Some tert-Butyl-Substituted 1,2-Diarylethylenes. |
Authors of publication | Mallory, Frank B.; Regan, Colleen K.; Bohen, Joseph M.; Mallory, Clelia W.; Bohen, Alyssa A.; Carroll, Patrick J. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 1 |
Pages of publication | 8 |
a | 10.211 ± 0.002 Å |
b | 24.258 ± 0.003 Å |
c | 12.287 ± 0.002 Å |
α | 90° |
β | 115.848 ± 0.003° |
γ | 90° |
Cell volume | 2739 ± 0.8 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.055 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for all reflections | 0.0923 |
Weighted residual factors for significantly intense reflections | 0.0868 |
Goodness-of-fit parameter for all reflections | 1.043 |
Goodness-of-fit parameter for significantly intense reflections | 1.088 |
Diffraction radiation wavelength | 0.71069 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/4030134.html
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