Information card for entry 2235870

Structure parameters

• Chemical name: (1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-ene
• Formula: C16 H24 Br2
• Calculated formula: C16 H24 Br2
• SMILES: [C@@]123C([C@@]1(CCCC([C@H]2C=C(CC3)C)(C)C)C)(Br)Br
• Title of publication: (1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-ene
• Authors of publication: Benharref, Ahmed; El Ammari, Lahcen; Lassaba, Essêdiya; Ourhriss, Najia; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2502
• a: 9.7464 ± 0.0014 Å
• b: 12.1633 ± 0.0016 Å
• c: 13.5352 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1604.6 ± 0.4 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: 0.0929
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes