Information card for entry 2227403

Structure parameters

• Chemical name: (1<i>S</i>,2<i>S</i>,4<i>R</i>)-3,3-Dichloro-4,8,12,12- tetramethyltricyclo[5.5.0.0^2,4^]dodeca-6,8-diene
• Formula: C16 H22 Cl2
• Calculated formula: C16 H22 Cl2
• SMILES: C12=CC[C@@]3([C@H]([C@@H]2C(CCC=C1C)(C)C)C3(Cl)Cl)C
• Title of publication: (1<i>S</i>,2<i>S</i>,4<i>R</i>)-3,3-Dichloro-4,8,12,12-tetramethyltricyclo[5.5.0.0^2,4^]dodeca-6,8-diene
• Authors of publication: Benharref, Ahmed; El Ammari, Lahcen; Berraho, Moha; Lassaba, Esaadia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2463
• a: 7.4356 ± 0.0017 Å
• b: 8.3124 ± 0.0018 Å
• c: 24.108 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1490.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes