Information card for entry 2220258

Structure parameters

• Chemical name: rac-3,4-<i>trans</i>-Dichloro-1,2,3,4-tetrahydro-2-naphthyl acetate
• Formula: C12 H12 Cl2 O2
• Calculated formula: C12 H12 Cl2 O2
• SMILES: Cl[C@@H]1c2ccccc2C[C@@H](OC(=O)C)[C@H]1Cl.Cl[C@H]1c2ccccc2C[C@H](OC(=O)C)[C@@H]1Cl
• Title of publication: <i>rac</i>-3,4-<i>trans</i>-Dichloro-1,2,3,4-tetrahydro-2-naphthyl acetate
• Authors of publication: Şahin, Ertan; Kishali, Nurhan; Kara, Yunus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2269
• a: 12.931 ± 0.005 Å
• b: 12.478 ± 0.005 Å
• c: 7.441 ± 0.004 Å
• α: 90°
• β: 101.04 ± 0.005°
• γ: 90°
• Cell volume: 1178.4 ± 0.9 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes