Information card for entry 2000072

Structure parameters

• Formula: C12 H10 Cl4 O2
• Calculated formula: C12 H10 Cl4 O2
• SMILES: CC1[C@H]2C(=O)C([C@H]2C=C[C@@H]2[C@H]1C(=O)C2(Cl)Cl)(Cl)Cl
• Title of publication: (1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.03,6]undec-7-ene-4,11-dione
• Authors of publication: Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch-Pouchot, Marie-Thérèse; Philouze, Christian; Durif, André
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1480 - 1481
• a: 10.32 ± 0.008 Å
• b: 12.39 ± 0.004 Å
• c: 11.219 ± 0.002 Å
• α: 90°
• β: 105.8 ± 0.04°
• γ: 90°
• Cell volume: 1380.32 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.05
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No