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Information card for entry 8102077
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Coordinates | 8102077.cif |
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External links | ChemSpider |
Chemical name | 2-chloro-2-(choromethyl)-5-(1-hidroxy-isopropyl)-ciclohexane-1-ol |
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Formula | C10 H18 Cl2 O2 |
Calculated formula | C10 H18 Cl2 O2 |
SMILES | [C@H]1([C@](CC[C@H](C1)C(C)(C)O)(Cl)CCl)O |
Title of publication | Crystal structure of 2-chloro-2-(chloromethyl)-5-(1-hydroxy-isopropyl)- cyclohexane-1-ol, C~10~H~18~Cl~2~O~2~ |
Authors of publication | Zukerman-Schpector, J.; Coelho, D. C. S.; Tanaka, C. M. A.; Marsaioli, A. J. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2006 |
Journal volume | 221 |
Journal issue | 4 |
Pages of publication | 537 - 538 |
a | 7.9492 ± 0.0009 Å |
b | 7.8317 ± 0.0009 Å |
c | 9.632 ± 0.001 Å |
α | 90° |
β | 98.275 ± 0.008° |
γ | 90° |
Cell volume | 593.4 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0642 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.1049 |
Weighted residual factors for all reflections included in the refinement | 0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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