Information card for entry 1543458

Structure parameters

• Chemical name: (1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene
• Formula: C16 H22 Br4
• Calculated formula: C16 H22 Br4
• SMILES: BrC1(Br)[C@]23[C@]1(CCCC([C@H]2C=C([C@@H](Br)C3)CBr)(C)C)C
• Title of publication: (1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene
• Authors of publication: Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160820
• a: 8.2323 ± 0.0003 Å
• b: 12.9269 ± 0.0006 Å
• c: 16.6298 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1769.71 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes