Information card for entry 2201168

Structure parameters

• Chemical name: 2-(2,4-dichlorophenylhydroxymethyl)-1-tetralone
• Formula: C17 H14 Cl2 O2
• Calculated formula: C17 H14 Cl2 O2
• SMILES: Clc1c([C@@H](O)[C@H]2C(=O)c3c(CC2)cccc3)ccc(Cl)c1.Clc1c([C@H](O)[C@@H]2C(=O)c3c(CC2)cccc3)ccc(Cl)c1
• Title of publication: 2-(2,4-Dichlorophenylhydroxymethyl)-1-tetralone
• Authors of publication: Oloo, Eliud O.; Quail, J. Wilson; Perjési, Pál; Dimmock, Jonathan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o582 - o583
• a: 23.257 ± 0.001 Å
• b: 8.715 ± 0.001 Å
• c: 14.668 ± 0.001 Å
• α: 90°
• β: 100.27 ± 0.01°
• γ: 90°
• Cell volume: 2925.3 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes