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Information card for entry 1555976
Preview
Coordinates | 1555976.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | anti-9,10-Bis(2-chlorophenyl)phenanthrene |
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Formula | C26 H16 Cl2 |
Calculated formula | C26 H16 Cl2 |
SMILES | c1(ccccc1c1c(c2c(cccc2)Cl)c2ccccc2c2ccccc12)Cl |
Title of publication | Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded? |
Authors of publication | Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 24 |
Pages of publication | 6444 - 6447 |
a | 11.7842 ± 0.0004 Å |
b | 10.5042 ± 0.0004 Å |
c | 16.7068 ± 0.0006 Å |
α | 90° |
β | 109.462 ± 0.002° |
γ | 90° |
Cell volume | 1949.87 ± 0.12 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0412 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.0951 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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