Information card for entry 2238440

Structure parameters

• Chemical name: (1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-11-Bromo-10-bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene
• Formula: C16 H22 Br2 Cl2
• Calculated formula: C16 H22 Br2 Cl2
• SMILES: BrCC1=C[C@@H]2C(C)(C)CCC[C@@]3([C@@]2(C[C@@H]1Br)C3(Cl)Cl)C
• Title of publication: (1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-11-Bromo-10-bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene
• Authors of publication: Benharref, Ahmed; El karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1283
• a: 8.2594 ± 0.0007 Å
• b: 13.0352 ± 0.0011 Å
• c: 16.6241 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1789.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes