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Information card for entry 1501884
Preview
Coordinates | 1501884.cif |
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Original paper (by DOI) | HTML |
Formula | C66.86 H47.72 |
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Calculated formula | C66.858 H47.716 |
SMILES | c1ccc(cc1)c1c2ccccc2c(c2c1cccc2)c1cccc2c1cccc2.c1ccc(cc1)c1c2ccccc2c(c2c1cccc2)c1cccc2c1cccc2.Cc1ccccc1 |
Title of publication | Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled. |
Authors of publication | Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; Muldoon, Jimmy; McGlinchey, Michael J. |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 256 - 259 |
a | 11.4349 ± 0.0001 Å |
b | 12.9659 ± 0.0002 Å |
c | 16.4853 ± 0.0003 Å |
α | 74.056 ± 0.002° |
β | 86.58 ± 0.001° |
γ | 85.989 ± 0.001° |
Cell volume | 2342.31 ± 0.06 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 2 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0523 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.1434 |
Weighted residual factors for all reflections included in the refinement | 0.1464 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1501884.html
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