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Information card for entry 7211799
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Coordinates | 7211799.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cyclohexanone chloroform clathrate (1:1) |
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Chemical name | cyclohexanone chloroform clathrate (1:1) |
Formula | C7 H11 Cl3 O |
Calculated formula | C7 H11 Cl3 O |
SMILES | ClC(Cl)Cl.O=C1CCCCC1 |
Title of publication | Low-melting molecular complexes of chloroform |
Authors of publication | Yufit, D. S.; Howard, J. A. K. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 3 |
Pages of publication | 737 |
a | 6.044 ± 0.0012 Å |
b | 9.0987 ± 0.0018 Å |
c | 9.5963 ± 0.0019 Å |
α | 98.82 ± 0.03° |
β | 100.43 ± 0.03° |
γ | 97.22 ± 0.03° |
Cell volume | 506.44 ± 0.19 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0346 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0778 |
Weighted residual factors for all reflections included in the refinement | 0.0816 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7211799.html
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