Information card for entry 7161105

Structure parameters

• Formula: C8 H12 Br2 O
• Calculated formula: C8 H12 Br2 O
• Title of publication: Cyclooctadiene-derived cage-divergent synthesis of heteroadamantanes and alternative polycyclic systems.
• Authors of publication: Lysenko, Vladyslav; Popov, Ioann O.; Slobodyanyuk, Evgeniy Y.; Rusanov, Eduard B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 17
• Pages of publication: 3643 - 3648
• a: 7.6076 ± 0.0003 Å
• b: 7.7166 ± 0.0003 Å
• c: 8.4813 ± 0.0003 Å
• α: 111.879 ± 0.003°
• β: 99.742 ± 0.003°
• γ: 90.024 ± 0.003°
• Cell volume: 454.27 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No