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Information card for entry 2007755
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Coordinates | 2007755.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | sp-9-(o-tert-Butylphenyl)-3-(methylthio)fluorene |
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Formula | C24 H24 S |
Calculated formula | C24 H24 S |
SMILES | S(c1ccc2c(c1)c1ccccc1C2c1c(cccc1)C(C)(C)C)C |
Title of publication | <i>sp</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-3-(methylthio)fluorene: a Major Rearrangement Product from the Facile Uncatalyzed Decomposition of <i>ap</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-(methylthio)fluorene |
Authors of publication | Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 10 |
Pages of publication | IUC9800051 |
a | 12.669 ± 0.002 Å |
b | 14.102 ± 0.005 Å |
c | 11.193 ± 0.006 Å |
α | 90° |
β | 99.21 ± 0.03° |
γ | 90° |
Cell volume | 1973.9 ± 1.3 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 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 | 0.1062 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for all reflections included in the refinement | 0.1431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/2007755.html
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