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Information card for entry 4036494
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Coordinates | 4036494.cif |
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Original paper (by DOI) | HTML |
Common name | cis-azobenzene-F |
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Chemical name | (Z)-1-(2-fluorophenyl)-2-phenyldiazene |
Formula | C12 H9 F N2 |
Calculated formula | C12 H9 F N2 |
SMILES | c1c(/N=N\c2c(F)cccc2)cccc1 |
Title of publication | Conformational Dynamics of o-Fluoro-Substituted Z-Azobenzene. |
Authors of publication | Rastogi, S. K.; Rogers, R. A.; Shi, J.; Gao, C.; Rinaldi, P. L.; Brittain, W. J. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 22 |
Pages of publication | 11485 - 11490 |
a | 8.036 ± 0.002 Å |
b | 23.367 ± 0.006 Å |
c | 11.456 ± 0.003 Å |
α | 90° |
β | 104.521 ± 0.009° |
γ | 90° |
Cell volume | 2082.5 ± 0.9 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
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 | 0.261 |
Residual factor for significantly intense reflections | 0.1127 |
Weighted residual factors for significantly intense reflections | 0.323 |
Weighted residual factors for all reflections included in the refinement | 0.4278 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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